4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol

C15H20N4O2 — CID 166243082

IUPAC4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
SMILESOCC1(O)CCN(Cc2ncnn2-c2ccccc2)CC1
InChIInChI=1S/C15H20N4O2/c20-11-15(21)6-8-18(9-7-15)10-14-16-12-17-19(14)13-4-2-1-3-5-13/h1-5,12,20-21H,6-11H2
InChIKeyGDHPIRUAXPYSOA-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.59
Rot. Bonds4

About 4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol

4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol (PubChem CID 166243082) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
PubChem CID166243082
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
SMILESOCC1(O)CCN(Cc2ncnn2-c2ccccc2)CC1
InChIInChI=1S/C15H20N4O2/c20-11-15(21)6-8-18(9-7-15)10-14-16-12-17-19(14)13-4-2-1-3-5-13/h1-5,12,20-21H,6-11H2
InChIKeyGDHPIRUAXPYSOA-UHFFFAOYSA-N
XLogP0.59
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol (CID 166243082) is 4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol is OCC1(O)CCN(Cc2ncnn2-c2ccccc2)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is GDHPIRUAXPYSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-11-15(21)6-8-18(9-7-15)10-14-16-12-17-19(14)13-4-2-1-3-5-13/h1-5,12,20-21H,6-11H2.
What are the key properties of 4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 288.35 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 166243082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).