SDF/Mol File of 1-Ethylpiperazine (C6H14N2)
Identification of 1-Ethylpiperazine Chemical Compound
| Chemical Formula | C6H14N2 |
|---|---|
| Molecular Weight | 114.18876 g/mol |
| IUPAC Name | 1-ethylpiperazine |
| SMILES String | CCN1CCNCC1 |
| InChI | InChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3 |
| InChIKey | WGCYRFWNGRMRJA-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 1-Ethylpiperazine is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 1-Ethylpiperazine molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 1-Ethylpiperazine Molecule
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Chemical structure of 1-Ethylpiperazine
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 1-Ethylpiperazine is available in chemical structure page of 1-Ethylpiperazine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of 1-Ethylpiperazine
The molecular weight of 1-Ethylpiperazine is available in molecular weight page of 1-Ethylpiperazine, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of 1-Ethylpiperazine
The chemical formula of 1-Ethylpiperazine is given in chemical formula page of 1-Ethylpiperazine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of 1-Ethylpiperazine
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 1-Ethylpiperazine is:
InChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3
It can provide a standard way to encode the molecular information of 1-Ethylpiperazine 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 1-Ethylpiperazine is:
InChIKey=WGCYRFWNGRMRJA-UHFFFAOYSA-N
The InChIKey may allow easier web searches for 1-Ethylpiperazine, but it needs to be linked to the full InChI to get back to the original structure of the 1-Ethylpiperazine since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 1-Ethylpiperazine
The 1-Ethylpiperazine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 1-Ethylpiperazine including the registry numbers are listed below, if available:
- T7101684
- C-44632
- BBV-38790058
- AR-1C3053
- N-Ethylpiperazine, United States Pharmacopeia (USP) Reference Standard
- Z1245664637
- F2190-0342
- W-105771
- I13-0053
- E0355
- MFCD00059912
- ANW-31634
- 6W2BW0V73G
- 1-Ethyl-2,5-dihydropiperazine
- 1-Ethylpiperazine, 98%
- 1-Ethylpiperazine;
- 1-ethyl piperazine
- N-ethyl-piperazine
- N-ethyl-piperazin
- 4-ethylpiperazine
- ethyl-piperazine
- ethyl piperazine
- N-ethyl piperazine
- 1-ethyl-piperazin
- ethylpiperazine
- 1-ethyl-piperazine
- 1-ethylpiperazin
- Piperazine, 1-ethyl-
- N-Ethylpiperazine
- 5308-25-8
1-Ethylpiperazine Identification Summary Frequently Asked Questions (FAQs)
| What’s the 1-Ethylpiperazine formula? |
|---|
| C6H14N2 |
| How many atoms and what elements are included in the 1-Ethylpiperazine molecule? |
| 22 atom(s) - 14 Hydrogen atom(s), 6 Carbon atom(s), and 2 Nitrogen atom(s) |
| How many chemical bonds and what kind of bonds are in the 1-Ethylpiperazine structure? |
| 22 bond(s) - 8 non-H bond(s), 1 rotatable bond(s), 1 six-membered ring(s), 1 secondary amine(s) (aliphatic), and 1 tertiary amine(s) (aliphatic) |
| What’s the 1-Ethylpiperazine’s molar mass? |
| 114.18876 g/mol |
| What’s the SMILES structure of 1-Ethylpiperazine? |
| CCN1CCNCC1 |
| What’s the InChI code of 1-Ethylpiperazine? |
| InChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3 |
| What’s the InChIKey format of 1-Ethylpiperazine? |
| WGCYRFWNGRMRJA-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).