1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol

C15H19F3N6O — CID 45235002

IUPAC1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESCC(O)Cc1cn(C2CCN(c3nccc(C(F)(F)F)n3)CC2)nn1
InChIInChI=1S/C15H19F3N6O/c1-10(25)8-11-9-24(22-21-11)12-3-6-23(7-4-12)14-19-5-2-13(20-14)15(16,17)18/h2,5,9-10,12,25H,3-4,6-8H2,1H3
InChIKeyCUNZMBCZOTXCGI-UHFFFAOYSA-N
MW356.35 g/mol
LogP1.85
Rot. Bonds4

About 1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol

1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol (PubChem CID 45235002) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol
PubChem CID45235002
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESCC(O)Cc1cn(C2CCN(c3nccc(C(F)(F)F)n3)CC2)nn1
InChIInChI=1S/C15H19F3N6O/c1-10(25)8-11-9-24(22-21-11)12-3-6-23(7-4-12)14-19-5-2-13(20-14)15(16,17)18/h2,5,9-10,12,25H,3-4,6-8H2,1H3
InChIKeyCUNZMBCZOTXCGI-UHFFFAOYSA-N
XLogP1.85
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-{1-[6-(isopropylamino)pyrimidin-4-yl]piperidin-4-yl}-1H-1,2,3-triazol-4-yl)ethanol
CID 46984165
[1-({1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 28641538
2-{1-Methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]piperazin-2-YL}ethanol
CID 56865786
1,2-Dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine
CID 155721031
(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
2-[1-[[(3R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]methyl]triazol-4-yl]ethanol
CID 30876693
2-[1-[[(3S)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]methyl]triazol-4-yl]ethanol
CID 30876694
2-[1-({1-[4-(dimethylamino)-5-fluoro-2-pyrimidinyl]-3-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]ethanol trifluoroacetate (salt)
CID 45177165
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 1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The IUPAC name of 1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol (CID 45235002) is 1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol is CC(O)Cc1cn(C2CCN(c3nccc(C(F)(F)F)n3)CC2)nn1.
What is the InChIKey of 1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The InChIKey is CUNZMBCZOTXCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-10(25)8-11-9-24(22-21-11)12-3-6-23(7-4-12)14-19-5-2-13(20-14)15(16,17)18/h2,5,9-10,12,25H,3-4,6-8H2,1H3.
What are the key properties of 1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol has a molecular weight of 356.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 45235002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).