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

C13H23N3O2 — CID 42943616

IUPAC1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
SMILESCC(c1nc(C(C)(C)C)no1)N1CCC(O)CC1
InChIInChI=1S/C13H23N3O2/c1-9(16-7-5-10(17)6-8-16)11-14-12(15-18-11)13(2,3)4/h9-10,17H,5-8H2,1-4H3
InChIKeyJVUBOGOLTBALNX-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.88
Rot. Bonds2

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

1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol (PubChem CID 42943616) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
PubChem CID42943616
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
SMILESCC(c1nc(C(C)(C)C)no1)N1CCC(O)CC1
InChIInChI=1S/C13H23N3O2/c1-9(16-7-5-10(17)6-8-16)11-14-12(15-18-11)13(2,3)4/h9-10,17H,5-8H2,1-4H3
InChIKeyJVUBOGOLTBALNX-UHFFFAOYSA-N
XLogP1.88
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol?
The IUPAC name of 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol (CID 42943616) is 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol is CC(c1nc(C(C)(C)C)no1)N1CCC(O)CC1.
What is the InChIKey of 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol?
The InChIKey is JVUBOGOLTBALNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(16-7-5-10(17)6-8-16)11-14-12(15-18-11)13(2,3)4/h9-10,17H,5-8H2,1-4H3.
What are the key properties of 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol?
1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol has a molecular weight of 253.35 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 42943616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).