2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile

C23H24ClN3O — CID 10572669

IUPAC2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile
SMILESN#Cc1ccccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H24ClN3O/c24-21-9-7-20(8-10-21)23(28)11-14-27(15-12-23)13-3-5-19(17-26)22-6-2-1-4-18(22)16-25/h1-2,4,6-10,19,28H,3,5,11-15H2
InChIKeyCEWNKOXWSXXSKW-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.58
Rot. Bonds6

About 2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile

2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile (PubChem CID 10572669) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile
PubChem CID10572669
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile
SMILESN#Cc1ccccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H24ClN3O/c24-21-9-7-20(8-10-21)23(28)11-14-27(15-12-23)13-3-5-19(17-26)22-6-2-1-4-18(22)16-25/h1-2,4,6-10,19,28H,3,5,11-15H2
InChIKeyCEWNKOXWSXXSKW-UHFFFAOYSA-N
XLogP4.58
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile?
The IUPAC name of 2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile (CID 10572669) is 2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile.
What is the SMILES notation for 2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile?
The canonical SMILES for 2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile is N#Cc1ccccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile?
The InChIKey is CEWNKOXWSXXSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c24-21-9-7-20(8-10-21)23(28)11-14-27(15-12-23)13-3-5-19(17-26)22-6-2-1-4-18(22)16-25/h1-2,4,6-10,19,28H,3,5,11-15H2.
What are the key properties of 2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile?
2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile has a molecular weight of 393.92 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile is sourced from PubChem (CID 10572669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).