1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one

C13H16FNO — CID 146432816

IUPAC1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
SMILESCC1(C)CCCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H16FNO/c1-13(2)8-3-9-15(12(13)16)11-6-4-10(14)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyDWNDXZAGGHZBGF-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.98
Rot. Bonds1

About 1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one

1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one (PubChem CID 146432816) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
PubChem CID146432816
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
SMILESCC1(C)CCCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H16FNO/c1-13(2)8-3-9-15(12(13)16)11-6-4-10(14)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyDWNDXZAGGHZBGF-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one (CID 146432816) is 1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one is CC1(C)CCCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one?
The InChIKey is DWNDXZAGGHZBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-13(2)8-3-9-15(12(13)16)11-6-4-10(14)5-7-11/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one?
1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one has a molecular weight of 221.28 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one is sourced from PubChem (CID 146432816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).