[4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone

C17H15Cl3N2O — CID 597263

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15Cl3N2O/c18-12-2-1-3-14(10-12)21-6-8-22(9-7-21)17(23)15-5-4-13(19)11-16(15)20/h1-5,10-11H,6-9H2
InChIKeyVMKLWYVDWIXNDK-UHFFFAOYSA-N
MW369.68 g/mol
LogP4.61
Rot. Bonds2

About [4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 597263) has the molecular formula C17H15Cl3N2O and a molecular weight of 369.68 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
PubChem CID597263
Molecular FormulaC17H15Cl3N2O
Molecular Weight369.68 g/mol
Exact Mass368.02
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15Cl3N2O/c18-12-2-1-3-14(10-12)21-6-8-22(9-7-21)17(23)15-5-4-13(19)11-16(15)20/h1-5,10-11H,6-9H2
InChIKeyVMKLWYVDWIXNDK-UHFFFAOYSA-N
XLogP4.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.68
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone 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 [4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone (CID 597263) is [4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is VMKLWYVDWIXNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O/c18-12-2-1-3-14(10-12)21-6-8-22(9-7-21)17(23)15-5-4-13(19)11-16(15)20/h1-5,10-11H,6-9H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 369.68 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 597263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).