1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone

C19H21ClN2O — CID 120739908

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O/c1-14-6-2-3-7-15(14)12-19(23)22-11-10-21-13-18(22)16-8-4-5-9-17(16)20/h2-9,18,21H,10-13H2,1H3
InChIKeyWRGBCUFGGLOFMS-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.36
Rot. Bonds3

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone (PubChem CID 120739908) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
PubChem CID120739908
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O/c1-14-6-2-3-7-15(14)12-19(23)22-11-10-21-13-18(22)16-8-4-5-9-17(16)20/h2-9,18,21H,10-13H2,1H3
InChIKeyWRGBCUFGGLOFMS-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethoxyphenyl)ethanone
CID 120739742
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride
CID 120738843
N-[4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120739887
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 120738810
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 120739448
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 120739461
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120738581
5-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 137047146
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone (CID 120739908) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is WRGBCUFGGLOFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-14-6-2-3-7-15(14)12-19(23)22-11-10-21-13-18(22)16-8-4-5-9-17(16)20/h2-9,18,21H,10-13H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone?
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 328.84 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 120739908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).