1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone

C17H24FNO2 — CID 83043920

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCCCN1CC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C17H24FNO2/c1-3-6-14-7-4-5-10-19(14)12-16(20)15-11-13(18)8-9-17(15)21-2/h8-9,11,14H,3-7,10,12H2,1-2H3
InChIKeyMBVVEYMFPXADFT-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.67
Rot. Bonds6

About 1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone

1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone (PubChem CID 83043920) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone
PubChem CID83043920
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCCCN1CC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C17H24FNO2/c1-3-6-14-7-4-5-10-19(14)12-16(20)15-11-13(18)8-9-17(15)21-2/h8-9,11,14H,3-7,10,12H2,1-2H3
InChIKeyMBVVEYMFPXADFT-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylpiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227563
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228410
1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83056229
1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43219345
2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227568
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43228143
2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 61216852
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 63609080
2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 106793710
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 83046047
2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227111

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone (CID 83043920) is 1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone is CCCC1CCCCN1CC(=O)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone?
The InChIKey is MBVVEYMFPXADFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-3-6-14-7-4-5-10-19(14)12-16(20)15-11-13(18)8-9-17(15)21-2/h8-9,11,14H,3-7,10,12H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone?
1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone has a molecular weight of 293.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone is sourced from PubChem (CID 83043920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).