1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone

C16H22FNO — CID 83056229

IUPAC1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCCCN1CC(=O)c1cccc(F)c1
InChIInChI=1S/C16H22FNO/c1-2-6-15-9-3-4-10-18(15)12-16(19)13-7-5-8-14(17)11-13/h5,7-8,11,15H,2-4,6,9-10,12H2,1H3
InChIKeyZUYAVTFWYFAANP-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.66
Rot. Bonds5

About 1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone

1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone (PubChem CID 83056229) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone
PubChem CID83056229
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCCCN1CC(=O)c1cccc(F)c1
InChIInChI=1S/C16H22FNO/c1-2-6-15-9-3-4-10-18(15)12-16(19)13-7-5-8-14(17)11-13/h5,7-8,11,15H,2-4,6,9-10,12H2,1H3
InChIKeyZUYAVTFWYFAANP-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83045729
1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83043920
1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83055820
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
1-(3-bromophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886122
1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886120
1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43219345
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(3-methylphenyl)ethanone
CID 62035550
2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227568
1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43794417
2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
CID 43797315
1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83046131

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone (CID 83056229) is 1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone is CCCC1CCCCN1CC(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone?
The InChIKey is ZUYAVTFWYFAANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-6-15-9-3-4-10-18(15)12-16(19)13-7-5-8-14(17)11-13/h5,7-8,11,15H,2-4,6,9-10,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone?
1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone has a molecular weight of 263.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone is sourced from PubChem (CID 83056229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).