1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride

C18H18Cl2F2N2O — CID 120802601

IUPAC1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride
SMILESCl.O=C(Cc1ccc(F)cc1F)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C18H17ClF2N2O.ClH/c19-14-3-1-2-13(8-14)17-11-22-6-7-23(17)18(24)9-12-4-5-15(20)10-16(12)21;/h1-5,8,10,17,22H,6-7,9,11H2;1H
InChIKeyVNWJUMBKESXXMA-UHFFFAOYSA-N
MW387.26 g/mol
LogP3.76
Rot. Bonds3

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

1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride (PubChem CID 120802601) has the molecular formula C18H18Cl2F2N2O and a molecular weight of 387.26 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride
PubChem CID120802601
Molecular FormulaC18H18Cl2F2N2O
Molecular Weight387.26 g/mol
Exact Mass386.08
IUPAC Name1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride
SMILESCl.O=C(Cc1ccc(F)cc1F)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C18H17ClF2N2O.ClH/c19-14-3-1-2-13(8-14)17-11-22-6-7-23(17)18(24)9-12-4-5-15(20)10-16(12)21;/h1-5,8,10,17,22H,6-7,9,11H2;1H
InChIKeyVNWJUMBKESXXMA-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120802347
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120737113
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 120802446
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-nitrophenyl)ethanone
CID 120802848
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
CID 120803044
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone
CID 120803535
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 120735990
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride
CID 120771117
3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride
CID 120803142

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride?
The IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride (CID 120802601) is 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride is Cl.O=C(Cc1ccc(F)cc1F)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride?
The InChIKey is VNWJUMBKESXXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O.ClH/c19-14-3-1-2-13(8-14)17-11-22-6-7-23(17)18(24)9-12-4-5-15(20)10-16(12)21;/h1-5,8,10,17,22H,6-7,9,11H2;1H.
What are the key properties of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride?
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride has a molecular weight of 387.26 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride is sourced from PubChem (CID 120802601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).