2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone

C13H16Cl2N2O2 — CID 134069379

IUPAC2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)CCl)CC1
InChIInChI=1S/C13H16Cl2N2O2/c1-19-12-3-2-10(15)8-11(12)16-4-6-17(7-5-16)13(18)9-14/h2-3,8H,4-7,9H2,1H3
InChIKeyUXJLRCLVVSSSEF-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.24
Rot. Bonds3

About 2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone

2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 134069379) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID134069379
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)CCl)CC1
InChIInChI=1S/C13H16Cl2N2O2/c1-19-12-3-2-10(15)8-11(12)16-4-6-17(7-5-16)13(18)9-14/h2-3,8H,4-7,9H2,1H3
InChIKeyUXJLRCLVVSSSEF-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-1-[4-(5-chloro-2-methoxyphenyl)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

Related Compounds

4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110731
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
2-(4-chlorophenyl)-1-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 113077817
1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 8839838
4-(5-chloro-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108091
4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 113112777
N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
2-chloro-1-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]ethanone
CID 4670659
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92672754
4-(5-chloro-2-methoxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113441
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 17427851

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone (CID 134069379) is 2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc(Cl)cc1N1CCN(C(=O)CCl)CC1.
What is the InChIKey of 2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is UXJLRCLVVSSSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-19-12-3-2-10(15)8-11(12)16-4-6-17(7-5-16)13(18)9-14/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone?
2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 303.19 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 134069379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).