1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one

C15H21FN2O — CID 110869101

IUPAC1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c1-12(2)10-15(19)18-8-6-17(7-9-18)14-5-3-4-13(16)11-14/h3-5,11-12H,6-10H2,1-2H3
InChIKeyVXGGKESAPNBBRK-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.52
Rot. Bonds3

About 1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one

1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 110869101) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID110869101
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c1-12(2)10-15(19)18-8-6-17(7-9-18)14-5-3-4-13(16)11-14/h3-5,11-12H,6-10H2,1-2H3
InChIKeyVXGGKESAPNBBRK-UHFFFAOYSA-N
XLogP2.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
2-chloro-1-[4-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 43822500
3-methyl-1-[4-(3-propanoylphenyl)piperazin-1-yl]butan-1-one
CID 166101353
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide
CID 113097711
1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587
3-methyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873770
2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004075
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide
CID 113097715
1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-3-methylbutan-1-one
CID 110363875
8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide
CID 10126038
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 112994499
1-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 92992141

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one (CID 110869101) is 1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is VXGGKESAPNBBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-12(2)10-15(19)18-8-6-17(7-9-18)14-5-3-4-13(16)11-14/h3-5,11-12H,6-10H2,1-2H3.
What are the key properties of 1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one?
1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 264.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 110869101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).