(1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol

C14H17F3N6O — CID 28697367

IUPAC(1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol
SMILESC[C@H](O)c1cn(C2CCN(c3nccc(C(F)(F)F)n3)CC2)nn1
InChIInChI=1S/C14H17F3N6O/c1-9(24)11-8-23(21-20-11)10-3-6-22(7-4-10)13-18-5-2-12(19-13)14(15,16)17/h2,5,8-10,24H,3-4,6-7H2,1H3/t9-/m0/s1
InChIKeyYAZIGLZRAAMQHX-VIFPVBQESA-N
MW342.33 g/mol
LogP1.98
Rot. Bonds3

About (1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol

(1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol (PubChem CID 28697367) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is (1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol
PubChem CID28697367
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name(1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol
SMILESC[C@H](O)c1cn(C2CCN(c3nccc(C(F)(F)F)n3)CC2)nn1
InChIInChI=1S/C14H17F3N6O/c1-9(24)11-8-23(21-20-11)10-3-6-22(7-4-10)13-18-5-2-12(19-13)14(15,16)17/h2,5,8-10,24H,3-4,6-7H2,1H3/t9-/m0/s1
InChIKeyYAZIGLZRAAMQHX-VIFPVBQESA-N
XLogP1.98
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[[2-Methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol
CID 132502651
[1-({1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 28641538
[1-[(1R,2S)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]triazol-4-yl]methanol
CID 164636675
[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
1,2-Dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine
CID 155721031
1-Methylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine
CID 157039024
(2R,3R,4R,5S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 167491362
(1R)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol
CID 28697366
(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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol (CID 28697367) is (1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol is C[C@H](O)c1cn(C2CCN(c3nccc(C(F)(F)F)n3)CC2)nn1.
What is the InChIKey of (1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol?
The InChIKey is YAZIGLZRAAMQHX-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-9(24)11-8-23(21-20-11)10-3-6-22(7-4-10)13-18-5-2-12(19-13)14(15,16)17/h2,5,8-10,24H,3-4,6-7H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol?
(1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol has a molecular weight of 342.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 28697367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).