1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol

C11H19N3O2 — CID 58057837

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
SMILESCC(C)(C)c1noc(N2CCC(O)CC2)n1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)9-12-10(16-13-9)14-6-4-8(15)5-7-14/h8,15H,4-7H2,1-3H3
InChIKeyACRSQZCQSSFNIK-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.33
Rot. Bonds1

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol (PubChem CID 58057837) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
PubChem CID58057837
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
SMILESCC(C)(C)c1noc(N2CCC(O)CC2)n1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)9-12-10(16-13-9)14-6-4-8(15)5-7-14/h8,15H,4-7H2,1-3H3
InChIKeyACRSQZCQSSFNIK-UHFFFAOYSA-N
XLogP1.33
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol (CID 58057837) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol is CC(C)(C)c1noc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol?
The InChIKey is ACRSQZCQSSFNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)9-12-10(16-13-9)14-6-4-8(15)5-7-14/h8,15H,4-7H2,1-3H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol has a molecular weight of 225.29 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol is sourced from PubChem (CID 58057837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).