tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate

• ChemBase ID: 800797
• Molecular Formular: C17H25NO2
• Molecular Mass: 275.3859
• Monoisotopic Mass: 275.18852905
• SMILES: C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)C1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C17H25NO2/c1-13-5-7-14(8-6-13)15-9-11-18(12-10-15)16(19)20-17(2,3)4/h5-8,15H,9-12H2,1-4H3
• InChIKey: HWQPBEKHKMNAHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate
• Synonyms: tert-butyl 4-p-tolylpiperidine-1-carboxylate

Database IDs

• CAS Number: 732275-92-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8749251
• LogD (pH = 7.4): 3.8749251
• Log P: 3.8749251
• Molar Refractivity: 81.5153 cm^3
• Polarizability: 31.680473 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%