tert-butyl 3-amino-3-methylpiperidine-1-carboxylate

• ChemBase ID: 63436
• Molecular Formular: C11H22N2O2
• Molecular Mass: 214.30458
• Monoisotopic Mass: 214.16812795
• SMILES: C(=O)(N1CC(N)(CCC1)C)OC(C)(C)C
• Canonical SMILES: O=C(N1CCCC(C1)(C)N)OC(C)(C)C
• InChI: InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-5-6-11(4,12)8-13/h5-8,12H2,1-4H3
• InChIKey: BSSYZMZEARMCMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-amino-3-methylpiperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-amino-3-methylpiperidine-1-carboxylate
• Synonyms: tert-Butyl 3-amino-3-methyl-piperidine-1-carboxylate

Database IDs

• CAS Number: 1158759-06-8
• MDL Number: MFCD12408576
• PubChem SID: 162029175
• PubChem CID: 20816952

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.96205
• LogD (pH = 7.4): -1.150945
• Log P: 1.039472
• Molar Refractivity: 59.4877 cm^3
• Polarizability: 23.692034 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%