(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone

C19H21ClN2O — CID 873489

IUPAC(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H21ClN2O/c1-15-5-7-16(8-6-15)14-21-9-11-22(12-10-21)19(23)17-3-2-4-18(20)13-17/h2-8,13H,9-12,14H2,1H3
InChIKeyFUYPAKITEPMNNH-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.61
Rot. Bonds3

About (3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone

(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 873489) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID873489
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H21ClN2O/c1-15-5-7-16(8-6-15)14-21-9-11-22(12-10-21)19(23)17-3-2-4-18(20)13-17/h2-8,13H,9-12,14H2,1H3
InChIKeyFUYPAKITEPMNNH-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366065
(3-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638153
(3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325535
(3-chlorophenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 38991861
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 99184957
[4-(2-chloroethyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 39161623
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818383
[4-(2-bromoethyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 80661118
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 9183476
2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 55543571
[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 764804
3-[[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methyl]benzoic acid
CID 122028664

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone (CID 873489) is (3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1ccc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of (3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is FUYPAKITEPMNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-15-5-7-16(8-6-15)14-21-9-11-22(12-10-21)19(23)17-3-2-4-18(20)13-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of (3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 328.84 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 873489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).