[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine

C11H20N4O — CID 115078590

IUPAC[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCCN1CCCC(Cc2nc(CN)no2)C1
InChIInChI=1S/C11H20N4O/c1-2-15-5-3-4-9(8-15)6-11-13-10(7-12)14-16-11/h9H,2-8,12H2,1H3
InChIKeyVGXOFYAJLJJFSB-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.80
Rot. Bonds4

About [5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine

[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 115078590) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID115078590
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCCN1CCCC(Cc2nc(CN)no2)C1
InChIInChI=1S/C11H20N4O/c1-2-15-5-3-4-9(8-15)6-11-13-10(7-12)14-16-11/h9H,2-8,12H2,1H3
InChIKeyVGXOFYAJLJJFSB-UHFFFAOYSA-N
XLogP0.80
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine (CID 115078590) is [5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine is CCN1CCCC(Cc2nc(CN)no2)C1.
What is the InChIKey of [5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is VGXOFYAJLJJFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-15-5-3-4-9(8-15)6-11-13-10(7-12)14-16-11/h9H,2-8,12H2,1H3.
What are the key properties of [5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 224.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 115078590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).