[1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol

C14H17F3N6O — CID 28641538

IUPAC[1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(CC2CCN(c3nccc(C(F)(F)F)n3)CC2)nn1
InChIInChI=1S/C14H17F3N6O/c15-14(16,17)12-1-4-18-13(19-12)22-5-2-10(3-6-22)7-23-8-11(9-24)20-21-23/h1,4,8,10,24H,2-3,5-7,9H2
InChIKeyAXRZOOJRNCRSLN-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.50
Rot. Bonds4

About [1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol

[1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol (PubChem CID 28641538) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is [1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol
PubChem CID28641538
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name[1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(CC2CCN(c3nccc(C(F)(F)F)n3)CC2)nn1
InChIInChI=1S/C14H17F3N6O/c15-14(16,17)12-1-4-18-13(19-12)22-5-2-10(3-6-22)7-23-8-11(9-24)20-21-23/h1,4,8,10,24H,2-3,5-7,9H2
InChIKeyAXRZOOJRNCRSLN-UHFFFAOYSA-N
XLogP1.50
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1-{[1-(2-methyl-5-propyl-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanol
CID 29105639
1-(1-{[1-(2-methyl-5-propyl-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)ethanol trifluoroacetate (salt)
CID 45211277
4-(1H-imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol
CID 72881121
[1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol
CID 164641682
(2-(1-(5-(trifluoromethyl)pyrimidin-2-yl)piperidin-4-yl)-2H-1,2,3-triazol-4-yl)methanol
CID 57708393
(1R)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol
CID 28697366
(1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol
CID 28697367
(2R)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 28698233
(2S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 28698235
1-(1-{1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl}-1H-1,2,3-triazol-4-yl)ethanol
CID 45234626
1-(1-{1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl}-1H-1,2,3-triazol-4-yl)-2-propanol
CID 45235002
3-(1-Propan-2-yltriazol-4-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 128977080

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol (CID 28641538) is [1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol is OCc1cn(CC2CCN(c3nccc(C(F)(F)F)n3)CC2)nn1.
What is the InChIKey of [1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
The InChIKey is AXRZOOJRNCRSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c15-14(16,17)12-1-4-18-13(19-12)22-5-2-10(3-6-22)7-23-8-11(9-24)20-21-23/h1,4,8,10,24H,2-3,5-7,9H2.
What are the key properties of [1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
[1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol has a molecular weight of 342.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 28641538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).