2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone

C13H17ClN2O — CID 82511840

IUPAC2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
SMILESCc1cc(CC(=O)N2CCNCC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O/c1-10-8-11(2-3-12(10)14)9-13(17)16-6-4-15-5-7-16/h2-3,8,15H,4-7,9H2,1H3
InChIKeyWNYAWFOZKXREMA-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.62
Rot. Bonds2

About 2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone

2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone (PubChem CID 82511840) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
PubChem CID82511840
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
SMILESCc1cc(CC(=O)N2CCNCC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O/c1-10-8-11(2-3-12(10)14)9-13(17)16-6-4-15-5-7-16/h2-3,8,15H,4-7,9H2,1H3
InChIKeyWNYAWFOZKXREMA-UHFFFAOYSA-N
XLogP1.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847
3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 145472611
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 112763003
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone
CID 115104675
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 83931483
2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
CID 141462350
2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone
CID 22104765
1-[4-[2-(3,4-dimethylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110799856
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone (CID 82511840) is 2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone is Cc1cc(CC(=O)N2CCNCC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone?
The InChIKey is WNYAWFOZKXREMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-10-8-11(2-3-12(10)14)9-13(17)16-6-4-15-5-7-16/h2-3,8,15H,4-7,9H2,1H3.
What are the key properties of 2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone?
2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone has a molecular weight of 252.74 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82511840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).