1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol

C8H13N3O2 — CID 60744670

IUPAC1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol
SMILESOC1CCCN(Cc2ncno2)C1
InChIInChI=1S/C8H13N3O2/c12-7-2-1-3-11(4-7)5-8-9-6-10-13-8/h6-7,12H,1-5H2
InChIKeyPTHBUSCGOGDIRL-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.03
Rot. Bonds2

About 1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol

1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol (PubChem CID 60744670) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol
PubChem CID60744670
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol
SMILESOC1CCCN(Cc2ncno2)C1
InChIInChI=1S/C8H13N3O2/c12-7-2-1-3-11(4-7)5-8-9-6-10-13-8/h6-7,12H,1-5H2
InChIKeyPTHBUSCGOGDIRL-UHFFFAOYSA-N
XLogP0.03
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol (CID 60744670) is 1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol is OC1CCCN(Cc2ncno2)C1.
What is the InChIKey of 1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol?
The InChIKey is PTHBUSCGOGDIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-7-2-1-3-11(4-7)5-8-9-6-10-13-8/h6-7,12H,1-5H2.
What are the key properties of 1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol?
1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol has a molecular weight of 183.21 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 60744670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).