1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone

C18H18ClFN2O — CID 120803593

IUPAC1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C18H18ClFN2O/c19-15-3-1-2-14(11-15)17-12-21-8-9-22(17)18(23)10-13-4-6-16(20)7-5-13/h1-7,11,17,21H,8-10,12H2
InChIKeyOCGOOTWBASJIOV-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.19
Rot. Bonds3

About 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone

1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 120803593) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID120803593
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C18H18ClFN2O/c19-15-3-1-2-14(11-15)17-12-21-8-9-22(17)18(23)10-13-4-6-16(20)7-5-13/h1-7,11,17,21H,8-10,12H2
InChIKeyOCGOOTWBASJIOV-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120802601
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]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120802347
3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
CID 110656819
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 120802618
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120802984
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 120737654
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 120802977

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone (CID 120803593) is 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is OCGOOTWBASJIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c19-15-3-1-2-14(11-15)17-12-21-8-9-22(17)18(23)10-13-4-6-16(20)7-5-13/h1-7,11,17,21H,8-10,12H2.
What are the key properties of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 332.81 g/mol, XLogP of 3.19, 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-(4-fluorophenyl)ethanone is sourced from PubChem (CID 120803593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).