Formula of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine (C8H18N2)
Identification of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine Chemical Compound
| Chemical Formula | C8H18N2 |
|---|---|
| Molecular Weight | 142.24192 g/mol |
| IUPAC Name | (2R,3R,5S,6S)-2,3,5,6-tetramethylpiperazine |
| SMILES String | CC1NC(C)C(C)NC1C |
| InChI | InChI=1S/C8H18N2/c1-5-6(2)10-8(4)7(3)9-5/h5-10H,1-4H3/t5-,6-,7+,8+ |
| InChIKey | ICGDKKACLISIAM-ODANAHCNSA-N |
Chemical Formula Description
The 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine molecule contains a total of 28 atom(s). There are 18 Hydrogen atom(s), 8 Carbon atom(s), and 2 Nitrogen atom(s). A chemical formula of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine can therefore be written as:
C8H18N2
The chemical formula of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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Additional Information for Identifying 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine Molecule
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Structure Data File (SDF/MOL File) of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine
The structure data file (SDF/MOL File) of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine is available for download in the SDF page of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine providing the information about the atoms, bonds, connectivity and coordinates of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine, which is not completely available in the chemical formula representation. The 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine
The chemical structure image of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine is available in chemical structure page of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine and the chemical bonds that hold the atoms together.
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Molecular weight of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine
The molecular weight of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine is available in molecular weight page of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine.
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InChI (IUPAC International Chemical Identifier) information of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine is:
InChI=1S/C8H18N2/c1-5-6(2)10-8(4)7(3)9-5/h5-10H,1-4H3/t5-,6-,7+,8+
It can provide a standard way to encode the molecular information of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine is:
InChIKey=ICGDKKACLISIAM-ODANAHCNSA-N
The InChIKey may allow easier web searches for 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine, but it needs to be linked to the full InChI to get back to the original structure of the 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine
The 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine including the registry numbers is given below, if available:
- 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine
2alpha,3beta,5beta,6alpha-Tetramethylpiperazine Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine? |
|---|
| C8H18N2 |
| How many atoms and what are they in the 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine structure? |
| 28 atom(s) - 18 Hydrogen atom(s), 8 Carbon atom(s), and 2 Nitrogen atom(s) |
| How many chemical bonds and what are they in the 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine structure? |
| 28 bond(s) - 10 non-H bond(s), 1 six-membered ring(s), and 2 secondary amine(s) (aliphatic) |
| What’s the molecular weight of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine? |
| 142.24192 g/mol |
| What’s the SMILES string of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine? |
| CC1NC(C)C(C)NC1C |
| What’s the InChI of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine? |
| InChI=1S/C8H18N2/c1-5-6(2)10-8(4)7(3)9-5/h5-10H,1-4H3/t5-,6-,7+,8+ |
| What’s the InChIKey of 2alpha,3beta,5beta,6alpha-Tetramethylpiperazine? |
| ICGDKKACLISIAM-ODANAHCNSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).