tert-butyl N-(4-methylpiperidin-4-yl)carbamate

• ChemBase ID: 63437
• Molecular Formular: C11H22N2O2
• Molecular Mass: 214.30458
• Monoisotopic Mass: 214.16812795
• SMILES: C(=O)(OC(C)(C)C)NC1(C)CCNCC1
• Canonical SMILES: O=C(NC1(C)CCNCC1)OC(C)(C)C
• InChI: InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-11(4)5-7-12-8-6-11/h12H,5-8H2,1-4H3,(H,13,14)
• InChIKey: MVUNGZMGWJXPIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(4-methylpiperidin-4-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(4-methylpiperidin-4-yl)carbamate
• Synonyms: tert-Butyl N-(4-methyl-4-piperidyl)carbamate; tert-Butyl (4-methylpiperidin-4-yl)carbamate

Database IDs

• CAS Number: 163271-08-7
• MDL Number: MFCD08703167
• PubChem SID: 162029176
• PubChem CID: 19691370

CALCULATED PROPERTIES

• Acid pKa: 15.016378
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.428148
• LogD (pH = 7.4): -1.7275579
• Log P: 0.79097337
• Molar Refractivity: 59.5864 cm^3
• Polarizability: 23.692034 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 98%