5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile

C23H27ClN2O — CID 10786180

IUPAC5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile
SMILESCC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H27ClN2O/c1-22(18-25,19-6-3-2-4-7-19)12-5-15-26-16-13-23(27,14-17-26)20-8-10-21(24)11-9-20/h2-4,6-11,27H,5,12-17H2,1H3
InChIKeyAICXYDNEZWNITF-UHFFFAOYSA-N
MW382.94 g/mol
LogP4.89
Rot. Bonds6

About 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile

5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile (PubChem CID 10786180) has the molecular formula C23H27ClN2O and a molecular weight of 382.94 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile
PubChem CID10786180
Molecular FormulaC23H27ClN2O
Molecular Weight382.94 g/mol
Exact Mass382.18
IUPAC Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile
SMILESCC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H27ClN2O/c1-22(18-25,19-6-3-2-4-7-19)12-5-15-26-16-13-23(27,14-17-26)20-8-10-21(24)11-9-20/h2-4,6-11,27H,5,12-17H2,1H3
InChIKeyAICXYDNEZWNITF-UHFFFAOYSA-N
XLogP4.89
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile?
The IUPAC name of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile (CID 10786180) is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile?
The canonical SMILES for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile is CC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile?
The InChIKey is AICXYDNEZWNITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O/c1-22(18-25,19-6-3-2-4-7-19)12-5-15-26-16-13-23(27,14-17-26)20-8-10-21(24)11-9-20/h2-4,6-11,27H,5,12-17H2,1H3.
What are the key properties of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile?
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile has a molecular weight of 382.94 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile is sourced from PubChem (CID 10786180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).