5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine

C13H17F3N2O — CID 75484484

IUPAC5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
SMILESCc1ccc(OC2CCN(CC(F)(F)F)CC2)nc1
InChIInChI=1S/C13H17F3N2O/c1-10-2-3-12(17-8-10)19-11-4-6-18(7-5-11)9-13(14,15)16/h2-3,8,11H,4-7,9H2,1H3
InChIKeyNWRCXXKQECLSRJ-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.80
Rot. Bonds3

About 5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine

5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine (PubChem CID 75484484) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
PubChem CID75484484
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
SMILESCc1ccc(OC2CCN(CC(F)(F)F)CC2)nc1
InChIInChI=1S/C13H17F3N2O/c1-10-2-3-12(17-8-10)19-11-4-6-18(7-5-11)9-13(14,15)16/h2-3,8,11H,4-7,9H2,1H3
InChIKeyNWRCXXKQECLSRJ-UHFFFAOYSA-N
XLogP2.80
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 144655486
4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one
CID 84600424
5-methyl-2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]oxypyridine
CID 75484483
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
(6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346738
oxo-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]borane
CID 20701189
5-methyl-2-(oxetan-3-yloxy)pyridine
CID 126954908
5-methyl-2-(3-methylcyclobutyl)oxypyridine
CID 135173700
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine
CID 79465425
3-chloro-1-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 110208360
5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine
CID 167682110

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine?
The IUPAC name of 5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine (CID 75484484) is 5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine.
What is the SMILES notation for 5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine?
The canonical SMILES for 5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine is Cc1ccc(OC2CCN(CC(F)(F)F)CC2)nc1.
What is the InChIKey of 5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine?
The InChIKey is NWRCXXKQECLSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-10-2-3-12(17-8-10)19-11-4-6-18(7-5-11)9-13(14,15)16/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine?
5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine has a molecular weight of 274.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine is sourced from PubChem (CID 75484484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).