2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride

C19H22Cl2N2O2 — CID 120733916

IUPAC2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C19H21ClN2O2.ClH/c1-24-18-8-3-2-7-16(18)17-13-21-9-10-22(17)19(23)12-14-5-4-6-15(20)11-14;/h2-8,11,17,21H,9-10,12-13H2,1H3;1H
InChIKeyLPWCBETWPIBSRE-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.49
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride

2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120733916) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID120733916
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C19H21ClN2O2.ClH/c1-24-18-8-3-2-7-16(18)17-13-21-9-10-22(17)19(23)12-14-5-4-6-15(20)11-14;/h2-8,11,17,21H,9-10,12-13H2,1H3;1H
InChIKeyLPWCBETWPIBSRE-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129465770
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734383
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 120802446
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethoxyphenyl)ethanone
CID 120739742
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride
CID 120739203
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 120735077
2-(2-methoxy-5-methylphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734683
2-(2,3-difluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120735387
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120733408
2-(1-benzothiophen-3-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733235
2-cyclopentyloxy-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735006
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 120734995

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride (CID 120733916) is 2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride is COc1ccccc1C1CNCCN1C(=O)Cc1cccc(Cl)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is LPWCBETWPIBSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2.ClH/c1-24-18-8-3-2-7-16(18)17-13-21-9-10-22(17)19(23)12-14-5-4-6-15(20)11-14;/h2-8,11,17,21H,9-10,12-13H2,1H3;1H.
What are the key properties of 2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 381.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120733916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).