(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

C17H21F3N4O — CID 168826963

IUPAC(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESC[C@H]1C[C@@](O)(Cc2cccc(C(F)(F)F)c2)C[C@@H](c2cn(C)nn2)N1
InChIInChI=1S/C17H21F3N4O/c1-11-7-16(25,9-14(21-11)15-10-24(2)23-22-15)8-12-4-3-5-13(6-12)17(18,19)20/h3-6,10-11,14,21,25H,7-9H2,1-2H3/t11-,14-,16+/m0/s1
InChIKeyJGVXGGBTLWBCRG-HZUKXOBISA-N
MW354.38 g/mol
LogP2.62
Rot. Bonds3

About (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 168826963) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
PubChem CID168826963
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC Name(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESC[C@H]1C[C@@](O)(Cc2cccc(C(F)(F)F)c2)C[C@@H](c2cn(C)nn2)N1
InChIInChI=1S/C17H21F3N4O/c1-11-7-16(25,9-14(21-11)15-10-24(2)23-22-15)8-12-4-3-5-13(6-12)17(18,19)20/h3-6,10-11,14,21,25H,7-9H2,1-2H3/t11-,14-,16+/m0/s1
InChIKeyJGVXGGBTLWBCRG-HZUKXOBISA-N
XLogP2.62
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (CID 168826963) is (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is C[C@H]1C[C@@](O)(Cc2cccc(C(F)(F)F)c2)C[C@@H](c2cn(C)nn2)N1.
What is the InChIKey of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is JGVXGGBTLWBCRG-HZUKXOBISA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-11-7-16(25,9-14(21-11)15-10-24(2)23-22-15)8-12-4-3-5-13(6-12)17(18,19)20/h3-6,10-11,14,21,25H,7-9H2,1-2H3/t11-,14-,16+/m0/s1.
What are the key properties of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 354.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 168826963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).