1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine

C10H18N4O — CID 104635946

IUPAC1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
SMILESCc1nc(C(N)CN2CCCCC2)no1
InChIInChI=1S/C10H18N4O/c1-8-12-10(13-15-8)9(11)7-14-5-3-2-4-6-14/h9H,2-7,11H2,1H3
InChIKeyGQSUFFZJKXMTQV-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.86
Rot. Bonds3

About 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine

1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine (PubChem CID 104635946) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
PubChem CID104635946
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
SMILESCc1nc(C(N)CN2CCCCC2)no1
InChIInChI=1S/C10H18N4O/c1-8-12-10(13-15-8)9(11)7-14-5-3-2-4-6-14/h9H,2-7,11H2,1H3
InChIKeyGQSUFFZJKXMTQV-UHFFFAOYSA-N
XLogP0.86
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635994
1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 104636055
1-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 113435612
1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 104635871
1-(5-ethoxy-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 104635764
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 106828772
1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 114822777
1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 104635935
1-[5-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 104636043
1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 103511982
2-piperidin-1-yl-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104635977
1-[5-(2-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 107182992

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine (CID 104635946) is 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine is Cc1nc(C(N)CN2CCCCC2)no1.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine?
The InChIKey is GQSUFFZJKXMTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-12-10(13-15-8)9(11)7-14-5-3-2-4-6-14/h9H,2-7,11H2,1H3.
What are the key properties of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine?
1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine has a molecular weight of 210.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 104635946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).