4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine

• ChemBase ID: 815461
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: o1nc(nc1C1CCNCC1)C1CC1
• Canonical SMILES: N1CCC(CC1)c1onc(n1)C1CC1
• InChI: InChI=1S/C10H15N3O/c1-2-7(1)9-12-10(14-13-9)8-3-5-11-6-4-8/h7-8,11H,1-6H2
• InChIKey: YHECXJALZCUWMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine
• IUPAC Traditional name: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine
• Synonyms: 3-cyclopropyl-5-(piperidin-4-yl)-1,2,4-oxadiazole

Database IDs

• CAS Number: 1036461-01-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0694902
• LogD (pH = 7.4): -1.0602503
• Log P: 1.2450664
• Molar Refractivity: 53.57 cm^3
• Polarizability: 20.099257 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%