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

• ChemBase ID: 258576
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1c(ocn1)C1CCNCC1
• Canonical SMILES: N1CCC(CC1)c1ocnn1
• InChI: InChI=1S/C7H11N3O/c1-3-8-4-2-6(1)7-10-9-5-11-7/h5-6,8H,1-4H2
• InChIKey: YDKMMXBPUCTFTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1082413-19-1
• MDL Number: MFCD11042734
• PubChem SID: 164314486
• PubChem CID: 28269123

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.0192966
• LogD (pH = 7.4): -3.110885
• Log P: -0.8186718
• Molar Refractivity: 41.8559 cm^3
• Polarizability: 15.39623 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.585

Product Information

• Purity: 95%; 98%