1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one

C14H18F2N2O — CID 43794426

IUPAC1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1F)N1CCN(C)CC1
InChIInChI=1S/C14H18F2N2O/c1-10(18-7-5-17(2)6-8-18)14(19)12-4-3-11(15)9-13(12)16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyPOXZEYFKFJYHEI-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.78
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one

1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 43794426) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID43794426
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1F)N1CCN(C)CC1
InChIInChI=1S/C14H18F2N2O/c1-10(18-7-5-17(2)6-8-18)14(19)12-4-3-11(15)9-13(12)16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyPOXZEYFKFJYHEI-UHFFFAOYSA-N
XLogP1.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 43797028
1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
CID 62052304
1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 62037746
1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164974
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
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
2-(2,4-difluorobenzoyl)propanedioate
CID 19379742
(2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide
CID 95300051
1-(2,4-difluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 62888795
1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one
CID 43796403
1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63763871
4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one
CID 63607510

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one (CID 43794426) is 1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one is CC(C(=O)c1ccc(F)cc1F)N1CCN(C)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is POXZEYFKFJYHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-10(18-7-5-17(2)6-8-18)14(19)12-4-3-11(15)9-13(12)16/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one?
1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 268.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 43794426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).