tert-butyl 4-[(methylcarbamoyl)methoxy]piperidine-1-carboxylate

• ChemBase ID: 297109
• Molecular Formular: C13H24N2O4
• Molecular Mass: 272.34066
• Monoisotopic Mass: 272.17360726
• SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OCC(=O)NC
• Canonical SMILES: CNC(=O)COC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-5-10(6-8-15)18-9-11(16)14-4/h10H,5-9H2,1-4H3,(H,14,16)
• InChIKey: SDDBNIDYPIAJIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-[(methylcarbamoyl)methoxy]piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-[(methylcarbamoyl)methoxy]piperidine-1-carboxylate
• Synonyms: 4-(Methylcarbamoylmethoxy)piperidine-1-carboxylic acid tert-butyl ester; 2-(1-Boc-4-piperidinyloxy)-N-methylacetamide; 2-(1-Boc-4-哌啶氧基)-N-甲基乙酰胺

Database IDs

• MDL Number: MFCD17015029
• PubChem SID: 180682640
• PubChem CID: 73995144

CALCULATED PROPERTIES

• Acid pKa: 15.077489
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.053782556
• LogD (pH = 7.4): -0.053782564
• Log P: -0.053782556
• Molar Refractivity: 70.9675 cm^3
• Polarizability: 27.810759 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94-96°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%