tert-butyl N-(1-benzyl-2,3,5,6-tetramethylpiperidin-4-yl)carbamate

• ChemBase ID: 275558
• Molecular Formular: C21H34N2O2
• Molecular Mass: 346.50686
• Monoisotopic Mass: 346.26202834
• SMILES: N1(C(C(C(C(C1C)C)NC(=O)OC(C)(C)C)C)C)Cc1ccccc1
• Canonical SMILES: O=C(OC(C)(C)C)NC1C(C)C(C)N(C(C1C)C)Cc1ccccc1
• InChI: InChI=1S/C21H34N2O2/c1-14-16(3)23(13-18-11-9-8-10-12-18)17(4)15(2)19(14)22-20(24)25-21(5,6)7/h8-12,14-17,19H,13H2,1-7H3,(H,22,24)
• InChIKey: YASBDTKCNDHYRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(1-benzyl-2,3,5,6-tetramethylpiperidin-4-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(1-benzyl-2,3,5,6-tetramethylpiperidin-4-yl)carbamate
• Synonyms: tert-butyl N-(1-benzyl-2,3,5,6-tetramethylpiperidin-4-yl)carbamate

Database IDs

• MDL Number: MFCD19381883
• PubChem SID: 164331468
• PubChem CID: 54593729

CALCULATED PROPERTIES

• Acid pKa: 15.188916
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9969741
• LogD (pH = 7.4): 2.1845074
• Log P: 4.4097147
• Molar Refractivity: 102.5259 cm^3
• Polarizability: 40.658447 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.001

Product Information

• Purity: 95%