[5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol

C13H17F3N2O — CID 80628917

IUPAC[5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2O/c1-9-5-10(8-19)6-17-12(9)18-4-2-3-11(7-18)13(14,15)16/h5-6,11,19H,2-4,7-8H2,1H3
InChIKeyWGTOCMABCJTOBP-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.66
Rot. Bonds2

About [5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol

[5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol (PubChem CID 80628917) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is [5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol
PubChem CID80628917
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name[5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2O/c1-9-5-10(8-19)6-17-12(9)18-4-2-3-11(7-18)13(14,15)16/h5-6,11,19H,2-4,7-8H2,1H3
InChIKeyWGTOCMABCJTOBP-UHFFFAOYSA-N
XLogP2.66
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 80631786
[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol
CID 79884523
[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80628617
[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol
CID 81199999
[5-methyl-6-(3-methylazetidin-1-yl)-3-pyridinyl]methanol
CID 164658279
[5-methyl-6-(3-propylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 113418057
[5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 80628715
[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
CID 80631004
1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol
CID 80630672
[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
CID 80630100
[6-(2-ethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80631427
[5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
CID 114490322

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol?
The IUPAC name of [5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol (CID 80628917) is [5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol?
The canonical SMILES for [5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol is Cc1cc(CO)cnc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of [5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol?
The InChIKey is WGTOCMABCJTOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9-5-10(8-19)6-17-12(9)18-4-2-3-11(7-18)13(14,15)16/h5-6,11,19H,2-4,7-8H2,1H3.
What are the key properties of [5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol?
[5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol has a molecular weight of 274.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 80628917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).