N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine

C20H25ClN2 — CID 155539331

IUPACN-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
SMILESClc1ccccc1CN1CCC(CNCc2ccccc2)CC1
InChIInChI=1S/C20H25ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2
InChIKeyDLDJTHHLHVBYOQ-UHFFFAOYSA-N
MW328.89 g/mol
LogP4.34
Rot. Bonds6

About N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine

N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine (PubChem CID 155539331) has the molecular formula C20H25ClN2 and a molecular weight of 328.89 g/mol. Its IUPAC name is N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
PubChem CID155539331
Molecular FormulaC20H25ClN2
Molecular Weight328.89 g/mol
Exact Mass328.17
IUPAC NameN-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
SMILESClc1ccccc1CN1CCC(CNCc2ccccc2)CC1
InChIInChI=1S/C20H25ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2
InChIKeyDLDJTHHLHVBYOQ-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine 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 N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine (CID 155539331) is N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine is Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
The InChIKey is DLDJTHHLHVBYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2.
What are the key properties of N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine has a molecular weight of 328.89 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 155539331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).