2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride

C13H18Cl2N2O — CID 119473269

IUPAC2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC1CNCCN1C(=O)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H17ClN2O.ClH/c1-10-9-15-6-7-16(10)13(17)8-11-2-4-12(14)5-3-11;/h2-5,10,15H,6-9H2,1H3;1H
InChIKeyBEKOIXCRKRFJJH-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.12
Rot. Bonds2

About 2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride

2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 119473269) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID119473269
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC1CNCCN1C(=O)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H17ClN2O.ClH/c1-10-9-15-6-7-16(10)13(17)8-11-2-4-12(14)5-3-11;/h2-5,10,15H,6-9H2,1H3;1H
InChIKeyBEKOIXCRKRFJJH-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 94993777
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
CID 71639491
2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone
CID 119471466
2-(4-fluorophenyl)-1-(2-methyl-1,4-diazepan-1-yl)ethanone
CID 82244872
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705101
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705208
(E)-3-(4-chlorophenyl)-1-[(2R)-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 82704903
4-chloro-N-[4-(2-methylpiperazin-1-yl)-4-oxobutyl]benzamide;hydrochloride
CID 119471862
2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707760
1-(2-methylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one;hydrochloride
CID 119473497
2-(4-methoxyphenyl)-1-(2-methyl-1,4-diazepan-1-yl)ethanone
CID 82246398

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride (CID 119473269) is 2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride is CC1CNCCN1C(=O)Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is BEKOIXCRKRFJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O.ClH/c1-10-9-15-6-7-16(10)13(17)8-11-2-4-12(14)5-3-11;/h2-5,10,15H,6-9H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 289.21 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119473269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).