1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one

C15H19F2NO — CID 121308578

IUPAC1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one
SMILESCCC(F)(F)C1CC(=O)CCN1Cc1ccccc1
InChIInChI=1S/C15H19F2NO/c1-2-15(16,17)14-10-13(19)8-9-18(14)11-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3
InChIKeyBBMLIHLPMPIORW-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.27
Rot. Bonds4

About 1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one

1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one (PubChem CID 121308578) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one.

Molecular Properties

Compound Name1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one
PubChem CID121308578
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one
SMILESCCC(F)(F)C1CC(=O)CCN1Cc1ccccc1
InChIInChI=1S/C15H19F2NO/c1-2-15(16,17)14-10-13(19)8-9-18(14)11-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3
InChIKeyBBMLIHLPMPIORW-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-2-(1,1-difluoropropyl)piperidin-4-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-benzyl-2-propylpiperidin-4-one
CID 123828340
1-benzyl-2-ethylpyrrolidin-3-one
CID 83848143
1-benzylpiperidin-4-one;butane
CID 70571840
2-(1-benzylaziridin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 102132655
2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 83982308
1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
CID 53444394
(2R)-1-benzyl-2-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one
CID 25180441
(5R,6S)-1-benzyl-5,6-dimethylpiperidin-3-one
CID 124709041
1-benzyl-3,4,5,5a,6,8,9,9a-octahydro-2H-benzo[b]azepin-7-one
CID 83488594
1-benzyl-2,5-dimethylpiperidin-3-one
CID 54593754
1-benzyl-7-(trifluoromethyl)-2,3,4a,8a-tetrahydroquinolin-4-one
CID 69470451
(1S,5R)-2-benzyl-9-ethyl-2-azabicyclo[3.3.1]nonan-7-one
CID 134834962

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one?
The IUPAC name of 1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one (CID 121308578) is 1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one.
What is the SMILES notation for 1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one?
The canonical SMILES for 1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one is CCC(F)(F)C1CC(=O)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one?
The InChIKey is BBMLIHLPMPIORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-2-15(16,17)14-10-13(19)8-9-18(14)11-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3.
What are the key properties of 1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one?
1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one has a molecular weight of 267.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one is sourced from PubChem (CID 121308578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).