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

• ChemBase ID: 297023
• Molecular Formular: C14H26N2O4
• Molecular Mass: 286.36724
• Monoisotopic Mass: 286.18925732
• SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OCC(=O)N(C)C
• Canonical SMILES: O=C(N(C)C)COC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)16-8-6-11(7-9-16)19-10-12(17)15(4)5/h11H,6-10H2,1-5H3
• InChIKey: JFLWCDCZNAIPOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-[(dimethylcarbamoyl)methoxy]piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-[(dimethylcarbamoyl)methoxy]piperidine-1-carboxylate
• Synonyms: tert-Butyl 4-(dimethylcarbamoylmethoxy)piperidine-1-carboxylate; 2-(1-Boc-4-piperidinyloxy)-N,N-dimethylacetamide; 2-(1-Boc-4-哌啶氧基)-N,N-二甲基乙酰胺

Database IDs

• MDL Number: MFCD17015028
• PubChem SID: 180682554
• PubChem CID: 58002008

CALCULATED PROPERTIES

• Acid pKa: 19.873762
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.1698935
• LogD (pH = 7.4): 0.1698935
• Log P: 0.1698935
• Molar Refractivity: 75.8642 cm^3
• Polarizability: 29.641026 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57-59°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%