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

C16H19F3N4O — CID 168826611

IUPAC(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESC[C@H]1C[C@@](O)(c2cccc(C(F)(F)F)c2)C[C@@H](c2cn(C)nn2)N1
InChIInChI=1S/C16H19F3N4O/c1-10-7-15(24,8-13(20-10)14-9-23(2)22-21-14)11-4-3-5-12(6-11)16(17,18)19/h3-6,9-10,13,20,24H,7-8H2,1-2H3/t10-,13-,15-/m0/s1
InChIKeyWBJVQXLPVQAPEH-XEGUGMAKSA-N
MW340.35 g/mol
LogP2.53
Rot. Bonds2

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

(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 168826611) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID168826611
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESC[C@H]1C[C@@](O)(c2cccc(C(F)(F)F)c2)C[C@@H](c2cn(C)nn2)N1
InChIInChI=1S/C16H19F3N4O/c1-10-7-15(24,8-13(20-10)14-9-23(2)22-21-14)11-4-3-5-12(6-11)16(17,18)19/h3-6,9-10,13,20,24H,7-8H2,1-2H3/t10-,13-,15-/m0/s1
InChIKeyWBJVQXLPVQAPEH-XEGUGMAKSA-N
XLogP2.53
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

alpha7 Agonists 19q
CID 57340865
alpha7 Agonists 19t
CID 57340884
1,1,1,3,3,3-Hexafluoro-2-[4-[(1-phenyltriazol-4-yl)methylamino]phenyl]propan-2-ol
CID 164615790
2-[4-[[1-(3,4-Dimethylphenyl)triazol-4-yl]methylamino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 164626005
(2R,3R)-2-(2,4-difluorophenyl)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(triazol-1-yl)butan-2-ol
CID 122613619
(2S,6S)-2-methyl-6-[1-(pyridazin-3-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826601
(2S,6S)-2-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826603
(2S,6S)-2-[1-[(3,5-difluoro-2-pyridinyl)methyl]triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826604
(2S,6S)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826606
5-[[4-[(2S,6S)-4-hydroxy-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-yl]triazol-1-yl]methyl]piperidin-2-one
CID 168826607
methyl 2-[4-[(2S,6S)-4-hydroxy-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-yl]triazol-1-yl]acetate
CID 168826608
2-methyl-6-(2H-triazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826609

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 168826611) is (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is C[C@H]1C[C@@](O)(c2cccc(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]piperidin-4-ol?
The InChIKey is WBJVQXLPVQAPEH-XEGUGMAKSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-10-7-15(24,8-13(20-10)14-9-23(2)22-21-14)11-4-3-5-12(6-11)16(17,18)19/h3-6,9-10,13,20,24H,7-8H2,1-2H3/t10-,13-,15-/m0/s1.
What are the key properties of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 340.35 g/mol, XLogP of 2.53, 2 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]piperidin-4-ol is sourced from PubChem (CID 168826611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).