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

• ChemBase ID: 293432
• Molecular Formular: C12H21NO4
• Molecular Mass: 243.29944
• Monoisotopic Mass: 243.14705816
• SMILES: O=C(C1N(C(=O)OC(C)(C)C)CCCC1)OC
• Canonical SMILES: COC(=O)C1CCCCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-8-6-5-7-9(13)10(14)16-4/h9H,5-8H2,1-4H3
• InChIKey: PVMJFJDVCVNWQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butyl 2-methyl piperidine-1,2-dicarboxylate
• IUPAC Traditional name: 1-tert-butyl 2-methyl piperidine-1,2-dicarboxylate
• Synonyms: Methyl 1-Boc-piperidine-2-carboxylate

Database IDs

• CAS Number: 167423-93-0
• PubChem SID: 180678963
• PubChem CID: 10868493

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7765144
• LogD (pH = 7.4): 1.7765144
• Log P: 1.7765144
• Molar Refractivity: 62.4295 cm^3
• Polarizability: 24.824814 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%