tert-butyl N-[1-(piperidin-4-yl)ethyl]carbamate

• ChemBase ID: 271605
• Molecular Formular: C12H24N2O2
• Molecular Mass: 228.33116
• Monoisotopic Mass: 228.18377802
• SMILES: C(=O)(NC(C1CCNCC1)C)OC(C)(C)C
• Canonical SMILES: CC(C1CCNCC1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C12H24N2O2/c1-9(10-5-7-13-8-6-10)14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
• InChIKey: KREFOLREHRBMLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[1-(piperidin-4-yl)ethyl]carbamate
• IUPAC Traditional name: tert-butyl N-[1-(piperidin-4-yl)ethyl]carbamate
• Synonyms: tert-butyl N-[1-(piperidin-4-yl)ethyl]carbamate

Database IDs

• MDL Number: MFCD12190956
• PubChem SID: 164327515
• PubChem CID: 43523185

CALCULATED PROPERTIES

• Acid pKa: 15.466788
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8336535
• LogD (pH = 7.4): -1.165363
• Log P: 1.3875725
• Molar Refractivity: 64.185 cm^3
• Polarizability: 25.531202 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103 - 105°C
• Hydrophobicity(logP): 1.619

Product Information

• Purity: 95%