2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

C17H21F3N4O2 — CID 168826638

IUPAC2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCOCC1CC(O)(c2ccc(C(F)(F)F)cc2)CC(c2cn(C)nn2)N1
InChIInChI=1S/C17H21F3N4O2/c1-24-9-15(22-23-24)14-8-16(25,7-13(21-14)10-26-2)11-3-5-12(6-4-11)17(18,19)20/h3-6,9,13-14,21,25H,7-8,10H2,1-2H3
InChIKeyOPJXSRZSOAAZBP-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.16
Rot. Bonds4

About 2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 168826638) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID168826638
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Name2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCOCC1CC(O)(c2ccc(C(F)(F)F)cc2)CC(c2cn(C)nn2)N1
InChIInChI=1S/C17H21F3N4O2/c1-24-9-15(22-23-24)14-8-16(25,7-13(21-14)10-26-2)11-3-5-12(6-4-11)17(18,19)20/h3-6,9,13-14,21,25H,7-8,10H2,1-2H3
InChIKeyOPJXSRZSOAAZBP-UHFFFAOYSA-N
XLogP2.16
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
1-Ethyl-3-methylthiourea;2-[[4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)triazol-1-yl]methyl]oxan-4-ol
CID 144539134
4-(oxan-4-yl)-1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazole
CID 166100572
1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine
CID 166100811
(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

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (CID 168826638) is 2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is COCC1CC(O)(c2ccc(C(F)(F)F)cc2)CC(c2cn(C)nn2)N1.
What is the InChIKey of 2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is OPJXSRZSOAAZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-24-9-15(22-23-24)14-8-16(25,7-13(21-14)10-26-2)11-3-5-12(6-4-11)17(18,19)20/h3-6,9,13-14,21,25H,7-8,10H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 370.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 168826638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).