2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

C15H17F3N4O — CID 168826609

IUPAC2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCC1CC(O)(c2ccc(C(F)(F)F)cc2)CC(c2cn[nH]n2)N1
InChIInChI=1S/C15H17F3N4O/c1-9-6-14(23,7-12(20-9)13-8-19-22-21-13)10-2-4-11(5-3-10)15(16,17)18/h2-5,8-9,12,20,23H,6-7H2,1H3,(H,19,21,22)
InChIKeyHWHRRKCWFIMYGU-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.52
Rot. Bonds2

About 2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 168826609) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID168826609
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCC1CC(O)(c2ccc(C(F)(F)F)cc2)CC(c2cn[nH]n2)N1
InChIInChI=1S/C15H17F3N4O/c1-9-6-14(23,7-12(20-9)13-8-19-22-21-13)10-2-4-11(5-3-10)15(16,17)18/h2-5,8-9,12,20,23H,6-7H2,1H3,(H,19,21,22)
InChIKeyHWHRRKCWFIMYGU-UHFFFAOYSA-N
XLogP2.52
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (CID 168826609) is 2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is CC1CC(O)(c2ccc(C(F)(F)F)cc2)CC(c2cn[nH]n2)N1.
What is the InChIKey of 2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is HWHRRKCWFIMYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-9-6-14(23,7-12(20-9)13-8-19-22-21-13)10-2-4-11(5-3-10)15(16,17)18/h2-5,8-9,12,20,23H,6-7H2,1H3,(H,19,21,22).
What are the key properties of 2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 326.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 168826609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).