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

• ChemBase ID: 118274
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: o1c(nnc1C1CCNCC1)C1CC1
• Canonical SMILES: N1CCC(CC1)c1nnc(o1)C1CC1
• InChI: InChI=1S/C10H15N3O/c1-2-7(1)9-12-13-10(14-9)8-3-5-11-6-4-8/h7-8,11H,1-6H2
• InChIKey: LTIDKFOVOHXIJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1082828-62-3
• MDL Number: MFCD11610657
• PubChem SID: 162102567
• PubChem CID: 28344939

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1191647
• LogD (pH = 7.4): -2.235317
• Log P: 0.08418911
• Molar Refractivity: 53.6958 cm^3
• Polarizability: 20.101084 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.215

Product Information

• Purity: 95+%; 98%