1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine

C16H22N4O — CID 63255849

IUPAC1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-12(17)14-9-5-6-10-20(14)11-15-18-16(21-19-15)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,17H2,1H3
InChIKeyVTEAZXGDQVODHD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.44
Rot. Bonds4

About 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine

1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine (PubChem CID 63255849) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine
PubChem CID63255849
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-12(17)14-9-5-6-10-20(14)11-15-18-16(21-19-15)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,17H2,1H3
InChIKeyVTEAZXGDQVODHD-UHFFFAOYSA-N
XLogP2.44
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine (CID 63255849) is 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1Cc1noc(-c2ccccc2)n1.
What is the InChIKey of 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is VTEAZXGDQVODHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(17)14-9-5-6-10-20(14)11-15-18-16(21-19-15)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,17H2,1H3.
What are the key properties of 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63255849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).