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

C13H16FNO — CID 117019137

IUPAC1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one
SMILESCC1(C)C(=O)CCCN1c1ccccc1F
InChIInChI=1S/C13H16FNO/c1-13(2)12(16)8-5-9-15(13)11-7-4-3-6-10(11)14/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyWJIZJLPLPSKZBJ-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.77
Rot. Bonds1

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

1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one (PubChem CID 117019137) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one
PubChem CID117019137
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one
SMILESCC1(C)C(=O)CCCN1c1ccccc1F
InChIInChI=1S/C13H16FNO/c1-13(2)12(16)8-5-9-15(13)11-7-4-3-6-10(11)14/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyWJIZJLPLPSKZBJ-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016957
1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine
CID 117019217
1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016911
1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid
CID 82019186
1,3-bis(2-fluorophenyl)-4,4-dimethylimidazolidine
CID 129229077
2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one
CID 117019112
1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018125
1-(2-fluorophenyl)pyrrolidin-3-one
CID 23052790
1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one
CID 115269279
3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline
CID 10655190
(7aR)-2-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-7a-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
CID 125137274

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one?
The IUPAC name of 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one (CID 117019137) is 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one.
What is the SMILES notation for 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one?
The canonical SMILES for 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one is CC1(C)C(=O)CCCN1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one?
The InChIKey is WJIZJLPLPSKZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-13(2)12(16)8-5-9-15(13)11-7-4-3-6-10(11)14/h3-4,6-7H,5,8-9H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one?
1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one has a molecular weight of 221.28 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one is sourced from PubChem (CID 117019137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).