4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine

• ChemBase ID: 309007
• Molecular Formular: C9H15N3O
• Molecular Mass: 181.2349
• Monoisotopic Mass: 181.12151212
• SMILES: n1c(noc1C)CC1CCNCC1
• Canonical SMILES: Cc1onc(n1)CC1CCNCC1
• InChI: InChI=1S/C9H15N3O/c1-7-11-9(12-13-7)6-8-2-4-10-5-3-8/h8,10H,2-6H2,1H3
• InChIKey: YUNTVXGBYBLEKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine
• IUPAC Traditional name: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine
• Synonyms: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine

Database IDs

• CAS Number: 1209727-93-4
• MDL Number: MFCD13188597

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6337626
• LogD (pH = 7.4): -2.0924034
• Log P: 0.7213777
• Molar Refractivity: 50.7459 cm^3
• Polarizability: 18.984228 Å^3
• Polar Surface Area: 50.95 Å^2