5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one

C20H21F2NO — CID 10172049

IUPAC5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one
SMILESCc1cccc(C)c1N1CC(Cc2ccc(F)cc2F)CCC1=O
InChIInChI=1S/C20H21F2NO/c1-13-4-3-5-14(2)20(13)23-12-15(6-9-19(23)24)10-16-7-8-17(21)11-18(16)22/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3
InChIKeyHKRJISHVJOLJSA-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.57
Rot. Bonds3

About 5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one

5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one (PubChem CID 10172049) has the molecular formula C20H21F2NO and a molecular weight of 329.39 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one
PubChem CID10172049
Molecular FormulaC20H21F2NO
Molecular Weight329.39 g/mol
Exact Mass329.16
IUPAC Name5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one
SMILESCc1cccc(C)c1N1CC(Cc2ccc(F)cc2F)CCC1=O
InChIInChI=1S/C20H21F2NO/c1-13-4-3-5-14(2)20(13)23-12-15(6-9-19(23)24)10-16-7-8-17(21)11-18(16)22/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3
InChIKeyHKRJISHVJOLJSA-UHFFFAOYSA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one?
The IUPAC name of 5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one (CID 10172049) is 5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one.
What is the SMILES notation for 5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one?
The canonical SMILES for 5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one is Cc1cccc(C)c1N1CC(Cc2ccc(F)cc2F)CCC1=O.
What is the InChIKey of 5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one?
The InChIKey is HKRJISHVJOLJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO/c1-13-4-3-5-14(2)20(13)23-12-15(6-9-19(23)24)10-16-7-8-17(21)11-18(16)22/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3.
What are the key properties of 5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one?
5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one has a molecular weight of 329.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one is sourced from PubChem (CID 10172049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).