1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine

C23H24ClN3 — CID 44586290

IUPAC1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine
SMILESClc1ccc(CN2CCN(Cc3ccc(-c4ccncc4)cc3)CC2)cc1
InChIInChI=1S/C23H24ClN3/c24-23-7-3-20(4-8-23)18-27-15-13-26(14-16-27)17-19-1-5-21(6-2-19)22-9-11-25-12-10-22/h1-12H,13-18H2
InChIKeyIDJVQGABBCXBQJ-UHFFFAOYSA-N
MW377.92 g/mol
LogP4.72
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine

1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine (PubChem CID 44586290) has the molecular formula C23H24ClN3 and a molecular weight of 377.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine
PubChem CID44586290
Molecular FormulaC23H24ClN3
Molecular Weight377.92 g/mol
Exact Mass377.17
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine
SMILESClc1ccc(CN2CCN(Cc3ccc(-c4ccncc4)cc3)CC2)cc1
InChIInChI=1S/C23H24ClN3/c24-23-7-3-20(4-8-23)18-27-15-13-26(14-16-27)17-19-1-5-21(6-2-19)22-9-11-25-12-10-22/h1-12H,13-18H2
InChIKeyIDJVQGABBCXBQJ-UHFFFAOYSA-N
XLogP4.72
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine 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-[(4-pyridin-4-ylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine (CID 44586290) is 1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine is Clc1ccc(CN2CCN(Cc3ccc(-c4ccncc4)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine?
The InChIKey is IDJVQGABBCXBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3/c24-23-7-3-20(4-8-23)18-27-15-13-26(14-16-27)17-19-1-5-21(6-2-19)22-9-11-25-12-10-22/h1-12H,13-18H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine?
1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine has a molecular weight of 377.92 g/mol, XLogP of 4.72, 5 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-[(4-pyridin-4-ylphenyl)methyl]piperazine is sourced from PubChem (CID 44586290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).