1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine

C16H18ClN3 — CID 763141

IUPAC1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESClc1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C16H18ClN3/c17-15-6-4-14(5-7-15)13-19-9-11-20(12-10-19)16-3-1-2-8-18-16/h1-8H,9-13H2
InChIKeyDQZWOUAYJSCTKG-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.06
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine

1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 763141) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID763141
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESClc1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C16H18ClN3/c17-15-6-4-14(5-7-15)13-19-9-11-20(12-10-19)16-3-1-2-8-18-16/h1-8H,9-13H2
InChIKeyDQZWOUAYJSCTKG-UHFFFAOYSA-N
XLogP3.06
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine 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 1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine (CID 763141) is 1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine is Clc1ccc(CN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is DQZWOUAYJSCTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-15-6-4-14(5-7-15)13-19-9-11-20(12-10-19)16-3-1-2-8-18-16/h1-8H,9-13H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine?
1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 287.79 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 763141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).