1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one

C14H19FN2O — CID 116599252

IUPAC1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCC(C)(C(=O)c1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C14H19FN2O/c1-14(2,17-8-6-16-7-9-17)13(18)11-4-3-5-12(15)10-11/h3-5,10,16H,6-9H2,1-2H3
InChIKeyNJCHWNCUOAIYBS-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.69
Rot. Bonds3

About 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one

1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one (PubChem CID 116599252) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
PubChem CID116599252
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCC(C)(C(=O)c1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C14H19FN2O/c1-14(2,17-8-6-16-7-9-17)13(18)11-4-3-5-12(15)10-11/h3-5,10,16H,6-9H2,1-2H3
InChIKeyNJCHWNCUOAIYBS-UHFFFAOYSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044890
1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599169
1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069623
2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one
CID 174680761
2,2,2-trichloro-1-(3-fluorophenyl)ethanone
CID 21200944
1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 106883114
ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate
CID 61002608
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599250
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 43603186
1-(2-bromo-4-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599131
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one
CID 19879482

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one (CID 116599252) is 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one is CC(C)(C(=O)c1cccc(F)c1)N1CCNCC1.
What is the InChIKey of 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The InChIKey is NJCHWNCUOAIYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-14(2,17-8-6-16-7-9-17)13(18)11-4-3-5-12(15)10-11/h3-5,10,16H,6-9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one?
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one has a molecular weight of 250.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 116599252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).