1-(3-azidopropyl)piperidine

• ChemBase ID: 89418
• Molecular Formular: C8H16N4
• Molecular Mass: 168.23944
• Monoisotopic Mass: 168.13749653
• SMILES: N(=[N+]=[N-])CCCN1CCCCC1
• Canonical SMILES: [N-]=[N+]=NCCCN1CCCCC1
• InChI: InChI=1S/C8H16N4/c9-11-10-5-4-8-12-6-2-1-3-7-12/h1-8H2
• InChIKey: COOBGDQALSJAEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-azidopropyl)piperidine
• IUPAC Traditional name: 1-(3-azidopropyl)piperidine
• Synonyms: 3-(1-Piperidino)propylazide 97%

Database IDs

• MDL Number: MFCD01320910
• PubChem SID: 162076298
• PubChem CID: 2737214

CALCULATED PROPERTIES

• Acid pKa: 4.641929
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.2724283
• LogD (pH = 7.4): -1.077363
• Log P: -1.4442068
• Molar Refractivity: 49.5803 cm^3
• Polarizability: 18.52036 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 85-87°C

Safety Information

• Storage Warning: Irritant