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

• ChemBase ID: 309895
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: c1(ncon1)C1CNCCC1
• Canonical SMILES: C1CCC(CN1)c1nocn1
• InChI: InChI=1S/C7H11N3O/c1-2-6(4-8-3-1)7-9-5-11-10-7/h5-6,8H,1-4H2
• InChIKey: FAPUBBZZFHTOQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17270958

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.811512
• LogD (pH = 7.4): -1.5173675
• Log P: 0.43794253
• Molar Refractivity: 41.5761 cm^3
• Polarizability: 15.395987 Å^3
• Polar Surface Area: 50.95 Å^2