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

C15H20N4O2 — CID 166350645

IUPAC3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-ol
SMILESOCC1(O)CCCN(Cc2ccc(-n3cncn3)cc2)C1
InChIInChI=1S/C15H20N4O2/c20-10-15(21)6-1-7-18(9-15)8-13-2-4-14(5-3-13)19-12-16-11-17-19/h2-5,11-12,20-21H,1,6-10H2
InChIKeyMEJMFPHNCVKZPI-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.59
Rot. Bonds4

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

3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-ol (PubChem CID 166350645) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-ol
PubChem CID166350645
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-ol
SMILESOCC1(O)CCCN(Cc2ccc(-n3cncn3)cc2)C1
InChIInChI=1S/C15H20N4O2/c20-10-15(21)6-1-7-18(9-15)8-13-2-4-14(5-3-13)19-12-16-11-17-19/h2-5,11-12,20-21H,1,6-10H2
InChIKeyMEJMFPHNCVKZPI-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 3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-ol?
The IUPAC name of 3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-ol (CID 166350645) is 3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-ol is OCC1(O)CCCN(Cc2ccc(-n3cncn3)cc2)C1.
What is the InChIKey of 3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-ol?
The InChIKey is MEJMFPHNCVKZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-10-15(21)6-1-7-18(9-15)8-13-2-4-14(5-3-13)19-12-16-11-17-19/h2-5,11-12,20-21H,1,6-10H2.
What are the key properties of 3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-ol?
3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-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 3-(hydroxymethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 166350645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).