tert-butyl 4-{[methoxy(methyl)carbamoyl]methyl}piperidine-1-carboxylate

• ChemBase ID: 808995
• Molecular Formular: C14H26N2O4
• Molecular Mass: 286.36724
• Monoisotopic Mass: 286.18925732
• SMILES: C1(CCN(CC1)C(=O)OC(C)(C)C)CC(=O)N(C)OC
• Canonical SMILES: CON(C(=O)CC1CCN(CC1)C(=O)OC(C)(C)C)C
• InChI: InChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)16-8-6-11(7-9-16)10-12(17)15(4)19-5/h11H,6-10H2,1-5H3
• InChIKey: VOUMNMSUVOACEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-{[methoxy(methyl)carbamoyl]methyl}piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-{[methoxy(methyl)carbamoyl]methyl}piperidine-1-carboxylate
• Synonyms: 1-BOC-4-[(N-METHOXY-N-METHYLCARBAMOYL)METHYL]PIPERIDINE

Database IDs

• CAS Number: 416852-69-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1435392
• LogD (pH = 7.4): 1.1435392
• Log P: 1.1435392
• Molar Refractivity: 75.6113 cm^3
• Polarizability: 29.641026 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%