2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone

C12H14Cl2N2O — CID 4165380

IUPAC2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CCl)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2N2O/c13-9-12(17)16-6-4-15(5-7-16)11-3-1-2-10(14)8-11/h1-3,8H,4-7,9H2
InChIKeyQEKHLFPLCZFMFJ-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.23
Rot. Bonds2

About 2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone

2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone (PubChem CID 4165380) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
PubChem CID4165380
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CCl)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2N2O/c13-9-12(17)16-6-4-15(5-7-16)11-3-1-2-10(14)8-11/h1-3,8H,4-7,9H2
InChIKeyQEKHLFPLCZFMFJ-UHFFFAOYSA-N
XLogP2.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone 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 2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone (CID 4165380) is 2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone is O=C(CCl)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
The InChIKey is QEKHLFPLCZFMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-9-12(17)16-6-4-15(5-7-16)11-3-1-2-10(14)8-11/h1-3,8H,4-7,9H2.
What are the key properties of 2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone has a molecular weight of 273.16 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 4165380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).