1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride

C19H21Cl2FN2O2 — CID 120739203

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride
SMILESCOc1ccc(CC(=O)N2CCNCC2c2ccccc2Cl)cc1F.Cl
InChIInChI=1S/C19H20ClFN2O2.ClH/c1-25-18-7-6-13(10-16(18)21)11-19(24)23-9-8-22-12-17(23)14-4-2-3-5-15(14)20;/h2-7,10,17,22H,8-9,11-12H2,1H3;1H
InChIKeyFENPKESKUUZGCR-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.63
Rot. Bonds4

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride (PubChem CID 120739203) has the molecular formula C19H21Cl2FN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride
PubChem CID120739203
Molecular FormulaC19H21Cl2FN2O2
Molecular Weight399.29 g/mol
Exact Mass398.10
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride
SMILESCOc1ccc(CC(=O)N2CCNCC2c2ccccc2Cl)cc1F.Cl
InChIInChI=1S/C19H20ClFN2O2.ClH/c1-25-18-7-6-13(10-16(18)21)11-19(24)23-9-8-22-12-17(23)14-4-2-3-5-15(14)20;/h2-7,10,17,22H,8-9,11-12H2,1H3;1H
InChIKeyFENPKESKUUZGCR-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethoxyphenyl)ethanone
CID 120739742
2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733916
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 120738744
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride
CID 120739331
2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731152
N-[4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120739887
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-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 120802446
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 120739908
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 120739461

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride (CID 120739203) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride is COc1ccc(CC(=O)N2CCNCC2c2ccccc2Cl)cc1F.Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride?
The InChIKey is FENPKESKUUZGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2.ClH/c1-25-18-7-6-13(10-16(18)21)11-19(24)23-9-8-22-12-17(23)14-4-2-3-5-15(14)20;/h2-7,10,17,22H,8-9,11-12H2,1H3;1H.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride?
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride has a molecular weight of 399.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride is sourced from PubChem (CID 120739203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).