1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol

C14H20N6O — CID 45247677

IUPAC1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(CC2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C14H20N6O/c1-11(21)13-10-20(18-17-13)9-12-3-7-19(8-4-12)14-15-5-2-6-16-14/h2,5-6,10-12,21H,3-4,7-9H2,1H3
InChIKeyWZDIWOGPCGCISG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.04
Rot. Bonds4

About 1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol

1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol (PubChem CID 45247677) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol
PubChem CID45247677
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(CC2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C14H20N6O/c1-11(21)13-10-20(18-17-13)9-12-3-7-19(8-4-12)14-15-5-2-6-16-14/h2,5-6,10-12,21H,3-4,7-9H2,1H3
InChIKeyWZDIWOGPCGCISG-UHFFFAOYSA-N
XLogP1.04
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol (CID 45247677) is 1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol is CC(O)c1cn(CC2CCN(c3ncccn3)CC2)nn1.
What is the InChIKey of 1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is WZDIWOGPCGCISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-11(21)13-10-20(18-17-13)9-12-3-7-19(8-4-12)14-15-5-2-6-16-14/h2,5-6,10-12,21H,3-4,7-9H2,1H3.
What are the key properties of 1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol?
1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 288.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 45247677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).