4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine

C20H20ClNO — CID 164626408

IUPAC4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine
SMILESClc1ccc(CN2CCC(c3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C20H20ClNO/c21-18-7-5-15(6-8-18)14-22-11-9-16(10-12-22)20-13-17-3-1-2-4-19(17)23-20/h1-8,13,16H,9-12,14H2
InChIKeyACQJSWKZZFRCRQ-UHFFFAOYSA-N
MW325.84 g/mol
LogP5.47
Rot. Bonds3

About 4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine

4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine (PubChem CID 164626408) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine
PubChem CID164626408
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC Name4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine
SMILESClc1ccc(CN2CCC(c3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C20H20ClNO/c21-18-7-5-15(6-8-18)14-22-11-9-16(10-12-22)20-13-17-3-1-2-4-19(17)23-20/h1-8,13,16H,9-12,14H2
InChIKeyACQJSWKZZFRCRQ-UHFFFAOYSA-N
XLogP5.47
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.84
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine 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 4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine?
The IUPAC name of 4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine (CID 164626408) is 4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine is Clc1ccc(CN2CCC(c3cc4ccccc4o3)CC2)cc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine?
The InChIKey is ACQJSWKZZFRCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO/c21-18-7-5-15(6-8-18)14-22-11-9-16(10-12-22)20-13-17-3-1-2-4-19(17)23-20/h1-8,13,16H,9-12,14H2.
What are the key properties of 4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine?
4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine has a molecular weight of 325.84 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine is sourced from PubChem (CID 164626408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).