1-tert-butyl 2-ethyl piperidine-1,2-dicarboxylate

• ChemBase ID: 288449
• Molecular Formular: C13H23NO4
• Molecular Mass: 257.32602
• Monoisotopic Mass: 257.16270822
• SMILES: O=C(C1N(C(=O)OC(C)(C)C)CCCC1)OCC
• Canonical SMILES: CCOC(=O)C1CCCCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C13H23NO4/c1-5-17-11(15)10-8-6-7-9-14(10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
• InChIKey: KBDNAOCLKIBYPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butyl 2-ethyl piperidine-1,2-dicarboxylate
• IUPAC Traditional name: 1-tert-butyl 2-ethyl piperidine-1,2-dicarboxylate
• Synonyms: 1-tert-Butyl 2-ethyl piperidine-1,2-dicarboxylate; Ethyl 1-Boc-piperidine-2-carboxylate

Database IDs

• CAS Number: 362703-48-8
• PubChem SID: 180673980
• PubChem CID: 5080129

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1333222
• LogD (pH = 7.4): 2.1333222
• Log P: 2.1333222
• Molar Refractivity: 67.1781 cm^3
• Polarizability: 26.655312 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%