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

C14H18Cl2N2O — CID 91465258

IUPAC2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone
SMILESCCc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-2-11-9-12(3-4-13(11)16)17-5-7-18(8-6-17)14(19)10-15/h3-4,9H,2,5-8,10H2,1H3
InChIKeyGPKZCJNIWJQWOJ-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.79
Rot. Bonds3

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

2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone (PubChem CID 91465258) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone
PubChem CID91465258
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone
SMILESCCc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-2-11-9-12(3-4-13(11)16)17-5-7-18(8-6-17)14(19)10-15/h3-4,9H,2,5-8,10H2,1H3
InChIKeyGPKZCJNIWJQWOJ-UHFFFAOYSA-N
XLogP2.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.79
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-(4-chloro-3-ethylphenyl)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

1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 143061636
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 113080051
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 17217206
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
2-chloro-1-[4-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 43822500
4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
CID 3323200
4-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]piperazine-1-carboxylic acid
CID 18542397
2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 143061887
2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide
CID 15341403
1-[4-[3-chloro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanone
CID 54014888

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone (CID 91465258) is 2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone is CCc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone?
The InChIKey is GPKZCJNIWJQWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-2-11-9-12(3-4-13(11)16)17-5-7-18(8-6-17)14(19)10-15/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone?
2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone has a molecular weight of 301.22 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 91465258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).