tert-butyl 3-amino-4,4-diethoxypiperidine-1-carboxylate

• ChemBase ID: 813839
• Molecular Formular: C14H28N2O4
• Molecular Mass: 288.38312
• Monoisotopic Mass: 288.20490739
• SMILES: C1(CCN(CC1N)C(=O)OC(C)(C)C)(OCC)OCC
• Canonical SMILES: CCOC1(OCC)CCN(CC1N)C(=O)OC(C)(C)C
• InChI: InChI=1S/C14H28N2O4/c1-6-18-14(19-7-2)8-9-16(10-11(14)15)12(17)20-13(3,4)5/h11H,6-10,15H2,1-5H3
• InChIKey: DXICWTCECGHECU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-amino-4,4-diethoxypiperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-amino-4,4-diethoxypiperidine-1-carboxylate
• Synonyms: tert-butyl 3-amino-4,4-diethoxypiperidine-1-carboxylate

Database IDs

• CAS Number: 796062-33-4

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.79528815
• LogD (pH = 7.4): 0.8966081
• Log P: 1.6317259
• Molar Refractivity: 76.2207 cm^3
• Polarizability: 30.629293 Å^3
• Polar Surface Area: 74.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%