butyl 4-[N-(benzyloxy)formamido]-4-methylpiperidine-1-carboxylate

• ChemBase ID: 813359
• Molecular Formular: C19H28N2O4
• Molecular Mass: 348.43662
• Monoisotopic Mass: 348.20490739
• SMILES: C1(CCN(CC1)C(=O)OCCCC)(C)N(C=O)OCc1ccccc1
• Canonical SMILES: CCCCOC(=O)N1CCC(CC1)(C)N(OCc1ccccc1)C=O
• InChI: InChI=1S/C19H28N2O4/c1-3-4-14-24-18(23)20-12-10-19(2,11-13-20)21(16-22)25-15-17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3
• InChIKey: ZUBKWBIAGXPTHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl 4-[N-(benzyloxy)formamido]-4-methylpiperidine-1-carboxylate
• IUPAC Traditional name: butyl 4-[N-(benzyloxy)formamido]-4-methylpiperidine-1-carboxylate
• Synonyms: 4-BENZYLOXY-CARBONYL-AMINO-1-N-BUTOXY-CARBONYL-4-METHYL PIPERIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7214084
• LogD (pH = 7.4): 2.7214084
• Log P: 2.7214084
• Molar Refractivity: 95.5893 cm^3
• Polarizability: 37.35012 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%