[1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol

C16H20F3N5O — CID 29259141

IUPAC[1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(CC2CCN(Cc3ccc(C(F)(F)F)nc3)CC2)nn1
InChIInChI=1S/C16H20F3N5O/c17-16(18,19)15-2-1-13(7-20-15)8-23-5-3-12(4-6-23)9-24-10-14(11-25)21-22-24/h1-2,7,10,12,25H,3-6,8-9,11H2
InChIKeyZFHKLSXETGNLDT-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.10
Rot. Bonds5

About [1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol

[1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol (PubChem CID 29259141) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is [1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
PubChem CID29259141
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name[1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(CC2CCN(Cc3ccc(C(F)(F)F)nc3)CC2)nn1
InChIInChI=1S/C16H20F3N5O/c17-16(18,19)15-2-1-13(7-20-15)8-23-5-3-12(4-6-23)9-24-10-14(11-25)21-22-24/h1-2,7,10,12,25H,3-6,8-9,11H2
InChIKeyZFHKLSXETGNLDT-UHFFFAOYSA-N
XLogP2.10
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol (CID 29259141) is [1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol is OCc1cn(CC2CCN(Cc3ccc(C(F)(F)F)nc3)CC2)nn1.
What is the InChIKey of [1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
The InChIKey is ZFHKLSXETGNLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c17-16(18,19)15-2-1-13(7-20-15)8-23-5-3-12(4-6-23)9-24-10-14(11-25)21-22-24/h1-2,7,10,12,25H,3-6,8-9,11H2.
What are the key properties of [1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
[1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol has a molecular weight of 355.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 29259141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).