[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone

C15H24F3NO — CID 124504890

IUPAC[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C15H24F3NO/c1-10-5-3-6-11(2)19(10)14(20)12-7-4-8-13(9-12)15(16,17)18/h10-13H,3-9H2,1-2H3/t10-,11+,12-,13+/m0/s1
InChIKeyGUCYLBIELYGHCA-QNWHQSFQSA-N
MW291.36 g/mol
LogP4.14
Rot. Bonds1

About [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone

[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 124504890) has the molecular formula C15H24F3NO and a molecular weight of 291.36 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID124504890
Molecular FormulaC15H24F3NO
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C15H24F3NO/c1-10-5-3-6-11(2)19(10)14(20)12-7-4-8-13(9-12)15(16,17)18/h10-13H,3-9H2,1-2H3/t10-,11+,12-,13+/m0/s1
InChIKeyGUCYLBIELYGHCA-QNWHQSFQSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone 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

cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 897689
(3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119564483
cyclopropyl-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 130610084
cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 90020228
cis-(1S,3R)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 130860648
(4-tert-butylazepan-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 102557378
(2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908572
1-[4-(2,6-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110755890
4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782781
[3-(1-aminoethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 115969513
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119632879
[4-(cyclopropylmethylamino)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119623679

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone (CID 124504890) is [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone is C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is GUCYLBIELYGHCA-QNWHQSFQSA-N. The full InChI is InChI=1S/C15H24F3NO/c1-10-5-3-6-11(2)19(10)14(20)12-7-4-8-13(9-12)15(16,17)18/h10-13H,3-9H2,1-2H3/t10-,11+,12-,13+/m0/s1.
What are the key properties of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 291.36 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 124504890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).