tert-butyl 3-(azidomethyl)piperidine-1-carboxylate

• ChemBase ID: 309134
• Molecular Formular: C11H20N4O2
• Molecular Mass: 240.3021
• Monoisotopic Mass: 240.1586259
• SMILES: C(=O)(N1CC(CN=[N+]=[N-])CCC1)OC(C)(C)C
• Canonical SMILES: [N-]=[N+]=NCC1CCCN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)15-6-4-5-9(8-15)7-13-14-12/h9H,4-8H2,1-3H3
• InChIKey: BAEVCCYGRQSYIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-(azidomethyl)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-(azidomethyl)piperidine-1-carboxylate
• Synonyms: tert-butyl 3-(azidomethyl)piperidine-1-carboxylate

Database IDs

• CAS Number: 162167-94-4
• MDL Number: MFCD16556112

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6168305
• LogD (pH = 7.4): 1.6168305
• Log P: 1.7308761
• Molar Refractivity: 64.4245 cm^3
• Polarizability: 24.472393 Å^3
• Polar Surface Area: 58.97 Å^2