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

• ChemBase ID: 261436
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: c1(ncon1)C1NCCCC1
• Canonical SMILES: C1CCC(NC1)c1nocn1
• InChI: InChI=1S/C7H11N3O/c1-2-4-8-6(3-1)7-9-5-11-10-7/h5-6,8H,1-4H2
• InChIKey: KQAUEFLTGOYXCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14705568
• PubChem SID: 164317346
• PubChem CID: 47002143

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.769351
• LogD (pH = 7.4): 0.58572966
• Log P: 0.7282055
• Molar Refractivity: 41.3201 cm^3
• Polarizability: 15.470055 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.155

Product Information

• Purity: 95%