1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one

C13H16F2N2O — CID 62052304

IUPAC1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)c1ccc(F)cc1F)N1CCNCC1
InChIInChI=1S/C13H16F2N2O/c1-9(17-6-4-16-5-7-17)13(18)11-3-2-10(14)8-12(11)15/h2-3,8-9,16H,4-7H2,1H3
InChIKeyJFVLWSOUGRPNOZ-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.44
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one

1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one (PubChem CID 62052304) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
PubChem CID62052304
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)c1ccc(F)cc1F)N1CCNCC1
InChIInChI=1S/C13H16F2N2O/c1-9(17-6-4-16-5-7-17)13(18)11-3-2-10(14)8-12(11)15/h2-3,8-9,16H,4-7H2,1H3
InChIKeyJFVLWSOUGRPNOZ-UHFFFAOYSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43794426
1-(2,4-difluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 43797028
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164974
1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 62037746
1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82267459
4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one
CID 63607510
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-difluorophenyl)propan-1-one
CID 79929510
1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993
1-(2,4-difluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 62888795
1-(5-tert-butyl-2-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266176
1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266482

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one (CID 62052304) is 1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one is CC(C(=O)c1ccc(F)cc1F)N1CCNCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is JFVLWSOUGRPNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-9(17-6-4-16-5-7-17)13(18)11-3-2-10(14)8-12(11)15/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one?
1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 254.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 62052304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).