tert-butyl N-methyl-N-(piperidin-4-yl)carbamate

• ChemBase ID: 66657
• Molecular Formular: C11H22N2O2
• Molecular Mass: 214.30458
• Monoisotopic Mass: 214.16812795
• SMILES: C(=O)(N(C1CCNCC1)C)OC(C)(C)C
• Canonical SMILES: CN(C(=O)OC(C)(C)C)C1CCNCC1
• InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13(4)9-5-7-12-8-6-9/h9,12H,5-8H2,1-4H3
• InChIKey: DJJOYDXRUBOZON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-methyl-N-(piperidin-4-yl)carbamate
• IUPAC Traditional name: tert-butyl N-methyl-N-(piperidin-4-yl)carbamate
• Synonyms: tert-butyl N-methyl-N-(piperidin-4-yl)carbamate; 4-N-Boc-4-N-Methyl-aminopiperidine; 4-Boc-4-methylaminopiperidine; tert-Butyl methyl(piperidin-4-yl)carbamate; tert-Butyl methyl(piperidin-4-yl)carbamate; 4-(Methylamino)piperidine, 4-BOC protected; Methyl-piperidin-4-yl-carbamic acid tert-butyl ester

Database IDs

• CAS Number: 108612-54-0
• MDL Number: MFCD02683051
• PubChem SID: 162032394
• PubChem CID: 2756806

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.486087
• LogD (pH = 7.4): -1.8011131
• Log P: 0.7340728
• Molar Refractivity: 59.8449 cm^3
• Polarizability: 23.692034 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39 - 41°C
• Hydrophobicity(logP): 1.287

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%; 98%