2-benzyl-4-(4-chlorophenoxy)piperidine

C18H20ClNO — CID 173301452

IUPAC2-benzyl-4-(4-chlorophenoxy)piperidine
SMILESClc1ccc(OC2CCNC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H20ClNO/c19-15-6-8-17(9-7-15)21-18-10-11-20-16(13-18)12-14-4-2-1-3-5-14/h1-9,16,18,20H,10-13H2
InChIKeyNJBZTKZLJMBZJL-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.08
Rot. Bonds4

About 2-benzyl-4-(4-chlorophenoxy)piperidine

2-benzyl-4-(4-chlorophenoxy)piperidine (PubChem CID 173301452) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-benzyl-4-(4-chlorophenoxy)piperidine.

Molecular Properties

Compound Name2-benzyl-4-(4-chlorophenoxy)piperidine
PubChem CID173301452
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-benzyl-4-(4-chlorophenoxy)piperidine
SMILESClc1ccc(OC2CCNC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H20ClNO/c19-15-6-8-17(9-7-15)21-18-10-11-20-16(13-18)12-14-4-2-1-3-5-14/h1-9,16,18,20H,10-13H2
InChIKeyNJBZTKZLJMBZJL-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-4-(4-chlorophenoxy)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 2-benzyl-4-(4-chlorophenoxy)piperidine?
The IUPAC name of 2-benzyl-4-(4-chlorophenoxy)piperidine (CID 173301452) is 2-benzyl-4-(4-chlorophenoxy)piperidine.
What is the SMILES notation for 2-benzyl-4-(4-chlorophenoxy)piperidine?
The canonical SMILES for 2-benzyl-4-(4-chlorophenoxy)piperidine is Clc1ccc(OC2CCNC(Cc3ccccc3)C2)cc1.
What is the InChIKey of 2-benzyl-4-(4-chlorophenoxy)piperidine?
The InChIKey is NJBZTKZLJMBZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-15-6-8-17(9-7-15)21-18-10-11-20-16(13-18)12-14-4-2-1-3-5-14/h1-9,16,18,20H,10-13H2.
What are the key properties of 2-benzyl-4-(4-chlorophenoxy)piperidine?
2-benzyl-4-(4-chlorophenoxy)piperidine has a molecular weight of 301.82 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-chlorophenoxy)piperidine is sourced from PubChem (CID 173301452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).