tert-butyl 3-phenylpiperidine-1-carboxylate

• ChemBase ID: 796016
• Molecular Formular: C16H23NO2
• Molecular Mass: 261.35932
• Monoisotopic Mass: 261.17287898
• SMILES: C1CCN(CC1c1ccccc1)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N1CCCC(C1)c1ccccc1)OC(C)(C)C
• InChI: InChI=1S/C16H23NO2/c1-16(2,3)19-15(18)17-11-7-10-14(12-17)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3
• InChIKey: UASWAQXJHNSVQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-phenylpiperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-phenylpiperidine-1-carboxylate
• Synonyms: tert-butyl 3-phenylpiperidine-1-carboxylate

Database IDs

• CAS Number: 1056971-32-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4394574
• LogD (pH = 7.4): 3.4394574
• Log P: 3.4394574
• Molar Refractivity: 76.3971 cm^3
• Polarizability: 29.915094 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%