tert-butyl 4-methyl-4-(morpholin-4-yl)piperidine-1-carboxylate

• ChemBase ID: 66622
• Molecular Formular: C15H28N2O3
• Molecular Mass: 284.39442
• Monoisotopic Mass: 284.20999277
• SMILES: N1(CCC(CC1)(N1CCOCC1)C)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N1CCC(CC1)(C)N1CCOCC1)OC(C)(C)C
• InChI: InChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)16-7-5-15(4,6-8-16)17-9-11-19-12-10-17/h5-12H2,1-4H3
• InChIKey: ZHDZOXHJFQEDTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-methyl-4-(morpholin-4-yl)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-methyl-4-(morpholin-4-yl)piperidine-1-carboxylate
• Synonyms: 1-Boc-4-Methyl-4-morpholin-4-yl-piperidine

Database IDs

• CAS Number: 864369-95-9
• MDL Number: MFCD09743700
• PubChem SID: 162032359
• PubChem CID: 11266099

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.8689416
• LogD (pH = 7.4): 0.79115367
• Log P: 1.179197
• Molar Refractivity: 78.8523 cm^3
• Polarizability: 31.029112 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%