2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol

C13H21N3O2 — CID 154743934

IUPAC2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol
SMILESOCCN1CCCCC1c1nnc(C2CCC2)o1
InChIInChI=1S/C13H21N3O2/c17-9-8-16-7-2-1-6-11(16)13-15-14-12(18-13)10-4-3-5-10/h10-11,17H,1-9H2
InChIKeyHJIFMLXUSONDAO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.86
Rot. Bonds4

About 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol

2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol (PubChem CID 154743934) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol
PubChem CID154743934
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol
SMILESOCCN1CCCCC1c1nnc(C2CCC2)o1
InChIInChI=1S/C13H21N3O2/c17-9-8-16-7-2-1-6-11(16)13-15-14-12(18-13)10-4-3-5-10/h10-11,17H,1-9H2
InChIKeyHJIFMLXUSONDAO-UHFFFAOYSA-N
XLogP1.86
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol (CID 154743934) is 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol is OCCN1CCCCC1c1nnc(C2CCC2)o1.
What is the InChIKey of 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol?
The InChIKey is HJIFMLXUSONDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-9-8-16-7-2-1-6-11(16)13-15-14-12(18-13)10-4-3-5-10/h10-11,17H,1-9H2.
What are the key properties of 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol?
2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 154743934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).