tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

• ChemBase ID: 813249
• Molecular Formular: C13H24N2O4
• Molecular Mass: 272.34066
• Monoisotopic Mass: 272.17360726
• SMILES: C1CCN(CC1C(=O)N(C)OC)C(=O)OC(C)(C)C
• Canonical SMILES: CON(C(=O)C1CCCN(C1)C(=O)OC(C)(C)C)C
• InChI: InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-8-6-7-10(9-15)11(16)14(4)18-5/h10H,6-9H2,1-5H3
• InChIKey: NQGXVXHYGRAABB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
• Synonyms: 1-BOC-3-(METHOXY-METHYL-CARBAMOYL)PIPERIDINE

Database IDs

• CAS Number: 189442-78-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1108451
• LogD (pH = 7.4): 1.1108451
• Log P: 1.1108451
• Molar Refractivity: 70.8822 cm^3
• Polarizability: 27.810759 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%