(2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

C21H27F3N4O2 — CID 168826653

IUPAC(2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESC[C@H]1CC(O)(c2ccc(C(F)(F)F)cc2)C[C@@H](c2cn(CC3CCOCC3)nn2)N1
InChIInChI=1S/C21H27F3N4O2/c1-14-10-20(29,16-2-4-17(5-3-16)21(22,23)24)11-18(25-14)19-13-28(27-26-19)12-15-6-8-30-9-7-15/h2-5,13-15,18,25,29H,6-12H2,1H3/t14-,18-,20?/m0/s1
InChIKeyKYBNINLIQAFABD-KEXXGOCASA-N
MW424.47 g/mol
LogP3.42
Rot. Bonds4

About (2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

(2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 168826653) has the molecular formula C21H27F3N4O2 and a molecular weight of 424.47 g/mol. Its IUPAC name is (2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID168826653
Molecular FormulaC21H27F3N4O2
Molecular Weight424.47 g/mol
Exact Mass424.21
IUPAC Name(2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESC[C@H]1CC(O)(c2ccc(C(F)(F)F)cc2)C[C@@H](c2cn(CC3CCOCC3)nn2)N1
InChIInChI=1S/C21H27F3N4O2/c1-14-10-20(29,16-2-4-17(5-3-16)21(22,23)24)11-18(25-14)19-13-28(27-26-19)12-15-6-8-30-9-7-15/h2-5,13-15,18,25,29H,6-12H2,1H3/t14-,18-,20?/m0/s1
InChIKeyKYBNINLIQAFABD-KEXXGOCASA-N
XLogP3.42
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine
CID 71066594
4-(oxan-4-yl)-1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazole
CID 166100572
(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
(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826610
(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826611
(2R)-3-[4-[(2S,6S)-4-hydroxy-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-yl]triazol-1-yl]propane-1,2-diol
CID 168826612

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of (2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (CID 168826653) is (2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for (2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for (2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is C[C@H]1CC(O)(c2ccc(C(F)(F)F)cc2)C[C@@H](c2cn(CC3CCOCC3)nn2)N1.
What is the InChIKey of (2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is KYBNINLIQAFABD-KEXXGOCASA-N. The full InChI is InChI=1S/C21H27F3N4O2/c1-14-10-20(29,16-2-4-17(5-3-16)21(22,23)24)11-18(25-14)19-13-28(27-26-19)12-15-6-8-30-9-7-15/h2-5,13-15,18,25,29H,6-12H2,1H3/t14-,18-,20?/m0/s1.
What are the key properties of (2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
(2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 424.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-methyl-6-[1-(oxan-4-ylmethyl)triazol-4-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 168826653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).