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

• ChemBase ID: 281435
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: c1(nnco1)C1CNCCC1
• Canonical SMILES: C1CCC(CN1)c1nnco1
• InChI: InChI=1S/C7H11N3O/c1-2-6(4-8-3-1)7-10-9-5-11-7/h5-6,8H,1-4H2
• InChIKey: CUZDRVAZVXAEMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11582059
• PubChem SID: 180666966
• PubChem CID: 45792589

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8007724
• LogD (pH = 7.4): -2.5577047
• Log P: -0.6627644
• Molar Refractivity: 41.7019 cm^3
• Polarizability: 15.395964 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.285

Product Information

• Purity: 95%