1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one

C15H21FN2O2 — CID 116599169

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)N2CCNCC2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-15(2,18-8-6-17-7-9-18)14(19)11-4-5-13(20-3)12(16)10-11/h4-5,10,17H,6-9H2,1-3H3
InChIKeySELUCXGTHSAREC-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.70
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one

1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one (PubChem CID 116599169) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
PubChem CID116599169
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)N2CCNCC2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-15(2,18-8-6-17-7-9-18)14(19)11-4-5-13(20-3)12(16)10-11/h4-5,10,17H,6-9H2,1-3H3
InChIKeySELUCXGTHSAREC-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-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine
CID 82298206
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599250
2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one
CID 116557002
(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568282
(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65418976
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
1-(3-fluoro-4-methoxybenzoyl)piperazine-2-carbonitrile
CID 79086554
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
3-fluoro-4-methoxybenzoate
CID 4251674
2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one
CID 116603784
N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 43381036
1-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpyrrolidin-1-yl)butane-1,4-dione
CID 120994324

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one (CID 116599169) is 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one is COc1ccc(C(=O)C(C)(C)N2CCNCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The InChIKey is SELUCXGTHSAREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-15(2,18-8-6-17-7-9-18)14(19)11-4-5-13(20-3)12(16)10-11/h4-5,10,17H,6-9H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one?
1-(3-fluoro-4-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-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 116599169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).