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

C15H20N4O — CID 116807107

IUPAC[2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
SMILESNCc1ccccc1Cc1nc(N2CCCCC2)no1
InChIInChI=1S/C15H20N4O/c16-11-13-7-3-2-6-12(13)10-14-17-15(18-20-14)19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-11,16H2
InChIKeyGURNEPPRXFDXRW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.11
Rot. Bonds4

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

[2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine (PubChem CID 116807107) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
PubChem CID116807107
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
SMILESNCc1ccccc1Cc1nc(N2CCCCC2)no1
InChIInChI=1S/C15H20N4O/c16-11-13-7-3-2-6-12(13)10-14-17-15(18-20-14)19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-11,16H2
InChIKeyGURNEPPRXFDXRW-UHFFFAOYSA-N
XLogP2.11
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine with MolForge

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Related Compounds

[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
[2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 81317921
acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151189
5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 167920358
O-[[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 116807957
[2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81317850
N-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116809152
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 116807937
[3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117399628
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116808839
[2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81312269
[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81318498

Frequently Asked Questions

What is the IUPAC name of [2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine (CID 116807107) is [2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine is NCc1ccccc1Cc1nc(N2CCCCC2)no1.
What is the InChIKey of [2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine?
The InChIKey is GURNEPPRXFDXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-11-13-7-3-2-6-12(13)10-14-17-15(18-20-14)19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-11,16H2.
What are the key properties of [2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine?
[2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine has a molecular weight of 272.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 116807107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).