tert-butyl 4-[4-(benzyloxy)phenyl]piperidine-1-carboxylate

• ChemBase ID: 804959
• Molecular Formular: C23H29NO3
• Molecular Mass: 367.48126
• Monoisotopic Mass: 367.21474379
• SMILES: C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccc(cc1)OCc1ccccc1
• Canonical SMILES: O=C(N1CCC(CC1)c1ccc(cc1)OCc1ccccc1)OC(C)(C)C
• InChI: InChI=1S/C23H29NO3/c1-23(2,3)27-22(25)24-15-13-20(14-16-24)19-9-11-21(12-10-19)26-17-18-7-5-4-6-8-18/h4-12,20H,13-17H2,1-3H3
• InChIKey: ZAMAOAKAEZPBBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-[4-(benzyloxy)phenyl]piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-[4-(benzyloxy)phenyl]piperidine-1-carboxylate
• Synonyms: 1-BOC-4-(4-BENZYLOXY-PHENYL)-PIPERIDINE

Database IDs

• CAS Number: 936497-89-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.9283056
• LogD (pH = 7.4): 4.9283056
• Log P: 4.9283056
• Molar Refractivity: 107.5499 cm^3
• Polarizability: 42.027344 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%