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

C18H18FNO — CID 22733840

IUPAC1-benzyl-3-(4-fluorophenyl)piperidin-2-one
SMILESO=C1C(c2ccc(F)cc2)CCCN1Cc1ccccc1
InChIInChI=1S/C18H18FNO/c19-16-10-8-15(9-11-16)17-7-4-12-20(18(17)21)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2
InChIKeyZZAHLTSAUSODSU-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.73
Rot. Bonds3

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

1-benzyl-3-(4-fluorophenyl)piperidin-2-one (PubChem CID 22733840) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-benzyl-3-(4-fluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(4-fluorophenyl)piperidin-2-one
PubChem CID22733840
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name1-benzyl-3-(4-fluorophenyl)piperidin-2-one
SMILESO=C1C(c2ccc(F)cc2)CCCN1Cc1ccccc1
InChIInChI=1S/C18H18FNO/c19-16-10-8-15(9-11-16)17-7-4-12-20(18(17)21)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2
InChIKeyZZAHLTSAUSODSU-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
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 ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-fluorophenyl)piperidin-2-one?
The IUPAC name of 1-benzyl-3-(4-fluorophenyl)piperidin-2-one (CID 22733840) is 1-benzyl-3-(4-fluorophenyl)piperidin-2-one.
What is the SMILES notation for 1-benzyl-3-(4-fluorophenyl)piperidin-2-one?
The canonical SMILES for 1-benzyl-3-(4-fluorophenyl)piperidin-2-one is O=C1C(c2ccc(F)cc2)CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-fluorophenyl)piperidin-2-one?
The InChIKey is ZZAHLTSAUSODSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-16-10-8-15(9-11-16)17-7-4-12-20(18(17)21)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2.
What are the key properties of 1-benzyl-3-(4-fluorophenyl)piperidin-2-one?
1-benzyl-3-(4-fluorophenyl)piperidin-2-one has a molecular weight of 283.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-fluorophenyl)piperidin-2-one is sourced from PubChem (CID 22733840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).