1-(2H-triazol-4-ylmethyl)piperidin-4-ol

C8H14N4O — CID 130916286

IUPAC1-(2H-triazol-4-ylmethyl)piperidin-4-ol
SMILESOC1CCN(Cc2cn[nH]n2)CC1
InChIInChI=1S/C8H14N4O/c13-8-1-3-12(4-2-8)6-7-5-9-11-10-7/h5,8,13H,1-4,6H2,(H,9,10,11)
InChIKeyPBJJVTXWYZYWLX-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.24
Rot. Bonds2

About 1-(2H-triazol-4-ylmethyl)piperidin-4-ol

1-(2H-triazol-4-ylmethyl)piperidin-4-ol (PubChem CID 130916286) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-(2H-triazol-4-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2H-triazol-4-ylmethyl)piperidin-4-ol
PubChem CID130916286
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-(2H-triazol-4-ylmethyl)piperidin-4-ol
SMILESOC1CCN(Cc2cn[nH]n2)CC1
InChIInChI=1S/C8H14N4O/c13-8-1-3-12(4-2-8)6-7-5-9-11-10-7/h5,8,13H,1-4,6H2,(H,9,10,11)
InChIKeyPBJJVTXWYZYWLX-UHFFFAOYSA-N
XLogP-0.24
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-triazol-4-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-(2H-triazol-4-ylmethyl)piperidin-4-ol (CID 130916286) is 1-(2H-triazol-4-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(2H-triazol-4-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(2H-triazol-4-ylmethyl)piperidin-4-ol is OC1CCN(Cc2cn[nH]n2)CC1.
What is the InChIKey of 1-(2H-triazol-4-ylmethyl)piperidin-4-ol?
The InChIKey is PBJJVTXWYZYWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c13-8-1-3-12(4-2-8)6-7-5-9-11-10-7/h5,8,13H,1-4,6H2,(H,9,10,11).
What are the key properties of 1-(2H-triazol-4-ylmethyl)piperidin-4-ol?
1-(2H-triazol-4-ylmethyl)piperidin-4-ol has a molecular weight of 182.23 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-triazol-4-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 130916286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).