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

C22H25ClN2O — CID 10499297

IUPAC5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-phenylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H25ClN2O/c23-21-10-8-20(9-11-21)22(26)12-15-25(16-13-22)14-4-7-19(17-24)18-5-2-1-3-6-18/h1-3,5-6,8-11,19,26H,4,7,12-16H2
InChIKeyHKFHHZSSPKIWAP-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.71
Rot. Bonds6

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

5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-phenylpentanenitrile (PubChem CID 10499297) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-phenylpentanenitrile.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-phenylpentanenitrile
PubChem CID10499297
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-phenylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H25ClN2O/c23-21-10-8-20(9-11-21)22(26)12-15-25(16-13-22)14-4-7-19(17-24)18-5-2-1-3-6-18/h1-3,5-6,8-11,19,26H,4,7,12-16H2
InChIKeyHKFHHZSSPKIWAP-UHFFFAOYSA-N
XLogP4.71
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.71
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-phenylpentanenitrile?
The IUPAC name of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-phenylpentanenitrile (CID 10499297) is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-phenylpentanenitrile.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-phenylpentanenitrile?
The canonical SMILES for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-phenylpentanenitrile is N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-phenylpentanenitrile?
The InChIKey is HKFHHZSSPKIWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c23-21-10-8-20(9-11-21)22(26)12-15-25(16-13-22)14-4-7-19(17-24)18-5-2-1-3-6-18/h1-3,5-6,8-11,19,26H,4,7,12-16H2.
What are the key properties of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-phenylpentanenitrile?
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-phenylpentanenitrile has a molecular weight of 368.91 g/mol, XLogP of 4.71, 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-phenylpentanenitrile is sourced from PubChem (CID 10499297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).