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

C11H20N4O — CID 106962581

IUPAC2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC1CCC(C)N(c2nnc(CCN)o2)C1
InChIInChI=1S/C11H20N4O/c1-8-3-4-9(2)15(7-8)11-14-13-10(16-11)5-6-12/h8-9H,3-7,12H2,1-2H3
InChIKeyQKVUBPHJYUWCGZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.20
Rot. Bonds3

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

2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106962581) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106962581
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC1CCC(C)N(c2nnc(CCN)o2)C1
InChIInChI=1S/C11H20N4O/c1-8-3-4-9(2)15(7-8)11-14-13-10(16-11)5-6-12/h8-9H,3-7,12H2,1-2H3
InChIKeyQKVUBPHJYUWCGZ-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-amine
CID 103437132
2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106968263
[1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 106965901
1-[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106965550
2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106956310
N-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106965552
2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106960391
[1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106968372
2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962400
[4-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol
CID 106965563
2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890523
[4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol
CID 106958218

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106962581) is 2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CC1CCC(C)N(c2nnc(CCN)o2)C1.
What is the InChIKey of 2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is QKVUBPHJYUWCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-3-4-9(2)15(7-8)11-14-13-10(16-11)5-6-12/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 224.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106962581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).