1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone

C13H16FNO — CID 105477579

IUPAC1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(C2(F)CCCNC2)c1
InChIInChI=1S/C13H16FNO/c1-10(16)11-4-2-5-12(8-11)13(14)6-3-7-15-9-13/h2,4-5,8,15H,3,6-7,9H2,1H3
InChIKeySKHKRCBBCXRMBY-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.44
Rot. Bonds2

About 1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone

1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone (PubChem CID 105477579) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone
PubChem CID105477579
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(C2(F)CCCNC2)c1
InChIInChI=1S/C13H16FNO/c1-10(16)11-4-2-5-12(8-11)13(14)6-3-7-15-9-13/h2,4-5,8,15H,3,6-7,9H2,1H3
InChIKeySKHKRCBBCXRMBY-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-cyclobutylphenyl)-3-fluoropiperidine
CID 114607384
1-[3-(3-fluorothiolan-3-yl)phenyl]ethanone
CID 84725536
3-(3-fluoroazetidin-3-yl)benzoic acid
CID 138039761
N-(3-acetylphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943623
methyl 3-(3-fluoroazetidin-3-yl)benzoate;hydrochloride
CID 155821092
1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone
CID 84723110
4-fluoro-4-(3-methylphenyl)azepane
CID 103984030
N-[3-(3-hydroxypiperidin-3-yl)phenyl]acetamide
CID 83896132
(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
CID 124547155
4-(3-cyclobutylphenyl)-4-fluoroazepane
CID 114607413
1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone
CID 105475536
3-fluoro-3-(2-methylphenyl)piperidine
CID 83818332

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone (CID 105477579) is 1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone is CC(=O)c1cccc(C2(F)CCCNC2)c1.
What is the InChIKey of 1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone?
The InChIKey is SKHKRCBBCXRMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-10(16)11-4-2-5-12(8-11)13(14)6-3-7-15-9-13/h2,4-5,8,15H,3,6-7,9H2,1H3.
What are the key properties of 1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone?
1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone has a molecular weight of 221.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone is sourced from PubChem (CID 105477579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).