2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one

C14H16F3NO — CID 79396754

IUPAC2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one
SMILESCC1C(=O)CCN(c2cccc(C(F)(F)F)c2)C1C
InChIInChI=1S/C14H16F3NO/c1-9-10(2)18(7-6-13(9)19)12-5-3-4-11(8-12)14(15,16)17/h3-5,8-10H,6-7H2,1-2H3
InChIKeyLCXIACUOOIPTDU-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.51
Rot. Bonds1

About 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one

2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one (PubChem CID 79396754) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one
PubChem CID79396754
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one
SMILESCC1C(=O)CCN(c2cccc(C(F)(F)F)c2)C1C
InChIInChI=1S/C14H16F3NO/c1-9-10(2)18(7-6-13(9)19)12-5-3-4-11(8-12)14(15,16)17/h3-5,8-10H,6-7H2,1-2H3
InChIKeyLCXIACUOOIPTDU-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]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

(3aR,7aR)-5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 695187
5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13284556
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 123229345
(1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 92953927
5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 143901480
3-methyl-2-[3-(trifluoromethyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931085
N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine
CID 117002935
1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 70692250
tert-butyl (3R)-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 156760411
(2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 141425766
7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
CID 123494904
6-[3-(trifluoromethyl)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione
CID 134101252

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one?
The IUPAC name of 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one (CID 79396754) is 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one.
What is the SMILES notation for 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one?
The canonical SMILES for 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one is CC1C(=O)CCN(c2cccc(C(F)(F)F)c2)C1C.
What is the InChIKey of 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one?
The InChIKey is LCXIACUOOIPTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-9-10(2)18(7-6-13(9)19)12-5-3-4-11(8-12)14(15,16)17/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one?
2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one has a molecular weight of 271.28 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one is sourced from PubChem (CID 79396754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).