1-tert-butyl 4-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate

• ChemBase ID: 289615
• Molecular Formular: C14H26N2O4
• Molecular Mass: 286.36724
• Monoisotopic Mass: 286.18925732
• SMILES: O=C(N1CCC(C(=O)OCC)(CN)CC1)OC(C)(C)C
• Canonical SMILES: CCOC(=O)C1(CN)CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C14H26N2O4/c1-5-19-11(17)14(10-15)6-8-16(9-7-14)12(18)20-13(2,3)4/h5-10,15H2,1-4H3
• InChIKey: UHHUEAGCENEXAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butyl 4-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
• IUPAC Traditional name: 1-tert-butyl 4-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
• Synonyms: 1-tert-Butyl 4-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate

Database IDs

• CAS Number: 1016258-69-7
• MDL Number: MFCD19982775
• PubChem SID: 180675146
• PubChem CID: 46839935

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0776803
• LogD (pH = 7.4): -0.78488237
• Log P: 0.8344886
• Molar Refractivity: 75.5213 cm^3
• Polarizability: 30.017082 Å^3
• Polar Surface Area: 81.86 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%