N-(piperidin-1-yl)(tert-butoxy)formamide

• ChemBase ID: 63672
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: C1CCCN(NC(=O)OC(C)(C)C)C1
• Canonical SMILES: O=C(OC(C)(C)C)NN1CCCCC1
• InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)11-12-7-5-4-6-8-12/h4-8H2,1-3H3,(H,11,13)
• InChIKey: FRHOQDDDDFBHGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-1-yl)(tert-butoxy)formamide
• IUPAC Traditional name: N-(piperidin-1-yl)(tert-butoxy)formamide
• Synonyms: tert-Butyl piperidin-1-ylcarbamate

Database IDs

• CAS Number: 126216-45-3
• MDL Number: MFCD00961870
• PubChem SID: 162029411
• PubChem CID: 3704368

CALCULATED PROPERTIES

• Acid pKa: 12.816329
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.362533
• LogD (pH = 7.4): 1.3626205
• Log P: 1.3626231
• Molar Refractivity: 55.1305 cm^3
• Polarizability: 21.756058 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%