(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol

C8H13N3O2 — CID 63015392

IUPAC(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol
SMILESOCc1nc(C2CCNCC2)no1
InChIInChI=1S/C8H13N3O2/c12-5-7-10-8(11-13-7)6-1-3-9-4-2-6/h6,9,12H,1-5H2
InChIKeyLJTOGYKDIVLGNR-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.03
Rot. Bonds2

About (3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol

(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol (PubChem CID 63015392) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol
PubChem CID63015392
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol
SMILESOCc1nc(C2CCNCC2)no1
InChIInChI=1S/C8H13N3O2/c12-5-7-10-8(11-13-7)6-1-3-9-4-2-6/h6,9,12H,1-5H2
InChIKeyLJTOGYKDIVLGNR-UHFFFAOYSA-N
XLogP0.03
TPSA71.18 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol?
The IUPAC name of (3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol (CID 63015392) is (3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol.
What is the SMILES notation for (3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol?
The canonical SMILES for (3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol is OCc1nc(C2CCNCC2)no1.
What is the InChIKey of (3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol?
The InChIKey is LJTOGYKDIVLGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-5-7-10-8(11-13-7)6-1-3-9-4-2-6/h6,9,12H,1-5H2.
What are the key properties of (3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol?
(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol has a molecular weight of 183.21 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methanol is sourced from PubChem (CID 63015392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).