4-(1,2,4-oxadiazol-3-yl)piperidine

• ChemBase ID: 309882
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1c(noc1)C1CCNCC1
• Canonical SMILES: N1CCC(CC1)c1nocn1
• InChI: InChI=1S/C7H11N3O/c1-3-8-4-2-6(1)7-9-5-11-10-7/h5-6,8H,1-4H2
• InChIKey: ORFXJJVVHVUFCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1,2,4-oxadiazol-3-yl)piperidine
• IUPAC Traditional name: 4-(1,2,4-oxadiazol-3-yl)piperidine
• Synonyms: 4-(1,2,4-oxadiazol-3-yl)piperidine

Database IDs

• CAS Number: 1250117-85-1
• MDL Number: MFCD11042732

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0261714
• LogD (pH = 7.4): -2.0420167
• Log P: 0.29200292
• Molar Refractivity: 41.7301 cm^3
• Polarizability: 15.396135 Å^3
• Polar Surface Area: 50.95 Å^2