1-benzyl-2-(4-fluorophenyl)piperidin-3-one

C18H18FNO — CID 141447102

IUPAC1-benzyl-2-(4-fluorophenyl)piperidin-3-one
SMILESO=C1CCCN(Cc2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C18H18FNO/c19-16-10-8-15(9-11-16)18-17(21)7-4-12-20(18)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,18H,4,7,12-13H2
InChIKeyQVGFTGQAKSDVQU-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.73
Rot. Bonds3

About 1-benzyl-2-(4-fluorophenyl)piperidin-3-one

1-benzyl-2-(4-fluorophenyl)piperidin-3-one (PubChem CID 141447102) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-benzyl-2-(4-fluorophenyl)piperidin-3-one.

Molecular Properties

Compound Name1-benzyl-2-(4-fluorophenyl)piperidin-3-one
PubChem CID141447102
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name1-benzyl-2-(4-fluorophenyl)piperidin-3-one
SMILESO=C1CCCN(Cc2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C18H18FNO/c19-16-10-8-15(9-11-16)18-17(21)7-4-12-20(18)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,18H,4,7,12-13H2
InChIKeyQVGFTGQAKSDVQU-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dipipanone
CID 13331
Alpha-D2PV
CID 33957
1-Benzyl-4-(4-oxo-4-phenylbutyl)piperidine Hydrochloride
CID 14553361
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-phenyl-methanone
CID 1437062
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-(4-fluoro-phenyl)-methanone
CID 1437837
3-Methyl-2,6-diphenylpiperidin-4-one
CID 568924
4-Phenyl-1-(phenylmethyl)-4-piperidinecarboxaldehyde
CID 96727
2,6-Di(phenyl)-4-piperidone
CID 2828708
(2,6-Difluoro-phenyl)-[4-(4-fluoro-benzoyl)-piperidin-1-yl]-methanone
CID 1438295
3,5-Diethyl-2,6-diphenylpiperidin-4-one
CID 2729797
4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one
CID 27620
4-(4-Benzyl-piperidin-1-yl)-1-(4-fluoro-phenyl)-butan-1-one
CID 215369

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-fluorophenyl)piperidin-3-one?
The IUPAC name of 1-benzyl-2-(4-fluorophenyl)piperidin-3-one (CID 141447102) is 1-benzyl-2-(4-fluorophenyl)piperidin-3-one.
What is the SMILES notation for 1-benzyl-2-(4-fluorophenyl)piperidin-3-one?
The canonical SMILES for 1-benzyl-2-(4-fluorophenyl)piperidin-3-one is O=C1CCCN(Cc2ccccc2)C1c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-2-(4-fluorophenyl)piperidin-3-one?
The InChIKey is QVGFTGQAKSDVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-16-10-8-15(9-11-16)18-17(21)7-4-12-20(18)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,18H,4,7,12-13H2.
What are the key properties of 1-benzyl-2-(4-fluorophenyl)piperidin-3-one?
1-benzyl-2-(4-fluorophenyl)piperidin-3-one has a molecular weight of 283.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-fluorophenyl)piperidin-3-one is sourced from PubChem (CID 141447102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).