tert-butyl 4-amino-2-methylpiperidine-1-carboxylate

• ChemBase ID: 63102
• Molecular Formular: C11H22N2O2
• Molecular Mass: 214.30458
• Monoisotopic Mass: 214.16812795
• SMILES: C1CN(C(C)CC1N)C(=O)OC(C)(C)C
• Canonical SMILES: NC1CCN(C(C1)C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C11H22N2O2/c1-8-7-9(12)5-6-13(8)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3
• InChIKey: OGIPSHDJYIEDKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-amino-2-methylpiperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-amino-2-methylpiperidine-1-carboxylate
• Synonyms: tert-Butyl 4-Amino-2-methyl-1-piperidinecarboxylate; tert-Butyl 4-amino-2-methylpiperidine-1-carboxylate

Database IDs

• CAS Number: 952182-04-6
• MDL Number: MFCD09832897
• PubChem SID: 162028841
• PubChem CID: 56924491

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2994738
• LogD (pH = 7.4): -1.7247803
• Log P: 0.7180674
• Molar Refractivity: 59.4891 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%; 95+%