[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone

C14H17F3N2O — CID 99831311

IUPAC[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCC1(C)CN(C(=O)c2ccncc2)CC[C@H]1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-13(2)9-19(8-5-11(13)14(15,16)17)12(20)10-3-6-18-7-4-10/h3-4,6-7,11H,5,8-9H2,1-2H3/t11-/m1/s1
InChIKeyLRAYKBCMLKUGSX-LLVKDONJSA-N
MW286.30 g/mol
LogP3.13
Rot. Bonds1

About [(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone

[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 99831311) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is [(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID99831311
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCC1(C)CN(C(=O)c2ccncc2)CC[C@H]1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-13(2)9-19(8-5-11(13)14(15,16)17)12(20)10-3-6-18-7-4-10/h3-4,6-7,11H,5,8-9H2,1-2H3/t11-/m1/s1
InChIKeyLRAYKBCMLKUGSX-LLVKDONJSA-N
XLogP3.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 124872122
[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 99795437
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 71981899
6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 154839958
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
[4-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 72849329
2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056218

Frequently Asked Questions

What is the IUPAC name of [(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 99831311) is [(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone is CC1(C)CN(C(=O)c2ccncc2)CC[C@H]1C(F)(F)F.
What is the InChIKey of [(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is LRAYKBCMLKUGSX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-13(2)9-19(8-5-11(13)14(15,16)17)12(20)10-3-6-18-7-4-10/h3-4,6-7,11H,5,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of [(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 286.30 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 99831311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).