2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one

C12H20F3NO — CID 126750054

IUPAC2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCC1CC(C(F)(F)F)CCN1C(=O)C(C)(C)C
InChIInChI=1S/C12H20F3NO/c1-8-7-9(12(13,14)15)5-6-16(8)10(17)11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyRAJAQFSZVUGUES-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.22
Rot. Bonds

About 2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 126750054) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID126750054
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCC1CC(C(F)(F)F)CCN1C(=O)C(C)(C)C
InChIInChI=1S/C12H20F3NO/c1-8-7-9(12(13,14)15)5-6-16(8)10(17)11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyRAJAQFSZVUGUES-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-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

Propylhexedrine N-TFA
CID 91752759
1-(cis-4-Butyl-3-fluoropiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827892
1-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 124291756
1-(5-Azaspiro[2.5]octan-5-yl)-3,3-difluorobutan-1-one
CID 126793621
3-[(2S,3R)-2,3-bis(trifluoromethyl)piperidin-1-yl]-3-oxopropanenitrile
CID 126821813
Propylhexadrine, n-heptafluorobutyryl deriv.
CID 620271
2,2,2-Trifluoro-1-(4-methylpiperidin-1-yl)ethanone
CID 3464522
1-(3,5-Dimethylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 3680542
2,2,2-Trifluoro-1-(3-methylpiperidin-1-yl)ethanone
CID 4391736
2,2,2-Trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone
CID 20811814
2,2,2-Trifluoro-1-[4-(3-methylbutyl)piperidin-1-yl]ethanone
CID 20811816
1-(4-Butylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 22970028

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one (CID 126750054) is 2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one is CC1CC(C(F)(F)F)CCN1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is RAJAQFSZVUGUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-8-7-9(12(13,14)15)5-6-16(8)10(17)11(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 251.29 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126750054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).