5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile

C20H23ClN2OS — CID 10690854

IUPAC5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1
InChIInChI=1S/C20H23ClN2OS/c21-19-5-3-18(4-6-19)20(24)8-11-23(12-9-20)10-1-2-16(14-22)17-7-13-25-15-17/h3-7,13,15-16,24H,1-2,8-12H2
InChIKeyLVNMFWVNZZIACP-UHFFFAOYSA-N
MW374.94 g/mol
LogP4.77
Rot. Bonds6

About 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile

5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile (PubChem CID 10690854) has the molecular formula C20H23ClN2OS and a molecular weight of 374.94 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile
PubChem CID10690854
Molecular FormulaC20H23ClN2OS
Molecular Weight374.94 g/mol
Exact Mass374.12
IUPAC Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1
InChIInChI=1S/C20H23ClN2OS/c21-19-5-3-18(4-6-19)20(24)8-11-23(12-9-20)10-1-2-16(14-22)17-7-13-25-15-17/h3-7,13,15-16,24H,1-2,8-12H2
InChIKeyLVNMFWVNZZIACP-UHFFFAOYSA-N
XLogP4.77
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.94
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile 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 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile?
The IUPAC name of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile (CID 10690854) is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile?
The canonical SMILES for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile is N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile?
The InChIKey is LVNMFWVNZZIACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2OS/c21-19-5-3-18(4-6-19)20(24)8-11-23(12-9-20)10-1-2-16(14-22)17-7-13-25-15-17/h3-7,13,15-16,24H,1-2,8-12H2.
What are the key properties of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile?
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile has a molecular weight of 374.94 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-3-ylpentanenitrile is sourced from PubChem (CID 10690854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).