SDF/Mol File of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol (C19H23ClN2O)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol Molecule

• Chemical structure of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol is available in chemical structure page of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol

  The molecular weight of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol is available in molecular weight page of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol

  The chemical formula of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol is given in chemical formula page of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol is:

  InChI=1S/C19H23ClN2O/c1-21-11-13-22(14-12-21)15-19(23,16-5-3-2-4-6-16)17-7-9-18(20)10-8-17/h2-10,23H,11-15H2,1H3/t19-/m0/s1

  It can provide a standard way to encode the molecular information of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol 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 (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol is:

  InChIKey=UWTLOJWLUJWCKC-IBGZPJMESA-N

  The InChIKey may allow easier web searches for (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol, but it needs to be linked to the full InChI to get back to the original structure of the (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol

  The (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol including the registry numbers are listed below, if available:

  
  
  None available.

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(1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol Identification Summary Frequently Asked Questions (FAQs)

What’s the (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol formula?
C19H23ClN2O
How many atoms and what elements are included in the (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol molecule?
46 atom(s) - 23 Hydrogen atom(s), 19 Carbon atom(s), 2 Nitrogen atom(s), 1 Oxygen atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are in the (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol structure?
48 bond(s) - 25 non-H bond(s), 12 multiple bond(s), 4 rotatable bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 2 tertiary amine(s) (aliphatic), 1 hydroxyl group(s), and 1 tertiary alcohol(s)
What’s the (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol’s molar mass?
330.85142 g/mol
What’s the SMILES structure of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol?
CN1CCN(CC1)CC(O)(c2ccccc2)c3ccc(Cl)cc3
What’s the InChI code of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol?
InChI=1S/C19H23ClN2O/c1-21-11-13-22(14-12-21)15-19(23,16-5-3-2-4-6-16)17-7-9-18(20)10-8-17/h2-10,23H,11-15H2,1H3/t19-/m0/s1
What’s the InChIKey format of (1S)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-1-phenylethan-1-ol?
UWTLOJWLUJWCKC-IBGZPJMESA-N

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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).