tert-butyl 3-azidopiperidine-1-carboxylate

• ChemBase ID: 801640
• Molecular Formular: C10H18N4O2
• Molecular Mass: 226.27552
• Monoisotopic Mass: 226.14297584
• SMILES: C1CCN(CC1N=[N+]=[N-])C(=O)OC(C)(C)C
• Canonical SMILES: [N-]=[N+]=NC1CCCN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)14-6-4-5-8(7-14)12-13-11/h8H,4-7H2,1-3H3
• InChIKey: IKEDNWKXANROGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-azidopiperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-azidopiperidine-1-carboxylate
• Synonyms: 1-PIPERIDINECARBOXYLIC ACID, 3-AZIDO-, 1,1-DIMETHYLETHYL ESTER

Database IDs

• CAS Number: 129888-61-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5720758
• LogD (pH = 7.4): 1.5720758
• Log P: 1.6861216
• Molar Refractivity: 59.4845 cm^3
• Polarizability: 22.643883 Å^3
• Polar Surface Area: 58.97 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%