1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one

C14H24F3NO — CID 164869658

IUPAC1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one
SMILESCC1(C)CC(CCCC(=O)C(F)(F)F)CC(C)(C)N1
InChIInChI=1S/C14H24F3NO/c1-12(2)8-10(9-13(3,4)18-12)6-5-7-11(19)14(15,16)17/h10,18H,5-9H2,1-4H3
InChIKeyBYCJMCITSBWKQY-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.84
Rot. Bonds4

About 1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one

1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one (PubChem CID 164869658) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one
PubChem CID164869658
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one
SMILESCC1(C)CC(CCCC(=O)C(F)(F)F)CC(C)(C)N1
InChIInChI=1S/C14H24F3NO/c1-12(2)8-10(9-13(3,4)18-12)6-5-7-11(19)14(15,16)17/h10,18H,5-9H2,1-4H3
InChIKeyBYCJMCITSBWKQY-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-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

Related Compounds

2,2,6,6-Tetraethyl-4-piperidone
CID 45095009
2,6-Diethyl-2,3,6-trimethylpiperidin-4-one
CID 22182213
1-[1-(Tert-butylamino)-4,4-difluorocyclohexyl]-2,2-dimethylpropan-1-one
CID 58256933
2,2,6,6-Tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-one
CID 87592607
3,3,3-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]propanamide
CID 117815644
3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide
CID 130457162
2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide
CID 130457428
(3R)-6-butyl-3-fluoro-2,2,6-trimethylpiperidin-4-one
CID 139549310
1,1,1-trifluoro-4-[(2S,5S)-5-methylpiperidin-2-yl]butan-2-one
CID 160252610
1-[(2S,4R)-4-(4,4-difluorobutyl)piperidin-2-yl]ethanone
CID 163956935
1,1,1-Trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one
CID 164869626
1,1,1-Trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one
CID 164869646

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one?
The IUPAC name of 1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one (CID 164869658) is 1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one?
The canonical SMILES for 1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one is CC1(C)CC(CCCC(=O)C(F)(F)F)CC(C)(C)N1.
What is the InChIKey of 1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one?
The InChIKey is BYCJMCITSBWKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-12(2)8-10(9-13(3,4)18-12)6-5-7-11(19)14(15,16)17/h10,18H,5-9H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one?
1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one has a molecular weight of 279.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-one is sourced from PubChem (CID 164869658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).