1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one

C15H21FN2O2 — CID 116599250

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCOc1cccc(C(=O)C(C)(C)N2CCNCC2)c1F
InChIInChI=1S/C15H21FN2O2/c1-15(2,18-9-7-17-8-10-18)14(19)11-5-4-6-12(20-3)13(11)16/h4-6,17H,7-10H2,1-3H3
InChIKeyUTHMBJDGJCDCRC-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.70
Rot. Bonds4

About 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one

1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one (PubChem CID 116599250) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
PubChem CID116599250
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCOc1cccc(C(=O)C(C)(C)N2CCNCC2)c1F
InChIInChI=1S/C15H21FN2O2/c1-15(2,18-9-7-17-8-10-18)14(19)11-5-4-6-12(20-3)13(11)16/h4-6,17H,7-10H2,1-3H3
InChIKeyUTHMBJDGJCDCRC-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 82807864
1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599169
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79055855
2-chloro-2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanone
CID 112575015
1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599315
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599252
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one
CID 116746583
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599190
2-(azepan-1-yl)-1-(3-bromo-2-fluorophenyl)-2-methylpropan-1-one
CID 106644857
1-(2-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-1-one
CID 116924095
tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate
CID 58817684

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one (CID 116599250) is 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one is COc1cccc(C(=O)C(C)(C)N2CCNCC2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The InChIKey is UTHMBJDGJCDCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-15(2,18-9-7-17-8-10-18)14(19)11-5-4-6-12(20-3)13(11)16/h4-6,17H,7-10H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one?
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one has a molecular weight of 280.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 116599250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).