2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C11H20N4O — CID 106968263

IUPAC2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC1CC(C)CN(c2nnc(CCN)o2)C1
InChIInChI=1S/C11H20N4O/c1-8-5-9(2)7-15(6-8)11-14-13-10(16-11)3-4-12/h8-9H,3-7,12H2,1-2H3
InChIKeyKXWKEEVERWIWGK-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.05
Rot. Bonds3

About 2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106968263) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106968263
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC1CC(C)CN(c2nnc(CCN)o2)C1
InChIInChI=1S/C11H20N4O/c1-8-5-9(2)7-15(6-8)11-14-13-10(16-11)3-4-12/h8-9H,3-7,12H2,1-2H3
InChIKeyKXWKEEVERWIWGK-UHFFFAOYSA-N
XLogP1.05
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106968263) is 2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CC1CC(C)CN(c2nnc(CCN)o2)C1.
What is the InChIKey of 2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is KXWKEEVERWIWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-5-9(2)7-15(6-8)11-14-13-10(16-11)3-4-12/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 224.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106968263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).