tert-butyl N-(1-benzyl-2,5-dimethylpiperidin-3-yl)carbamate

• ChemBase ID: 275594
• Molecular Formular: C19H30N2O2
• Molecular Mass: 318.4537
• Monoisotopic Mass: 318.23072821
• SMILES: N1(C(C(NC(=O)OC(C)(C)C)CC(C1)C)C)Cc1ccccc1
• Canonical SMILES: CC1CN(Cc2ccccc2)C(C(C1)NC(=O)OC(C)(C)C)C
• InChI: InChI=1S/C19H30N2O2/c1-14-11-17(20-18(22)23-19(3,4)5)15(2)21(12-14)13-16-9-7-6-8-10-16/h6-10,14-15,17H,11-13H2,1-5H3,(H,20,22)
• InChIKey: WZVGIPUTVFCAAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19381917
• PubChem SID: 164331504
• PubChem CID: 54593760

CALCULATED PROPERTIES

• Acid pKa: 14.91403
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.87698084
• LogD (pH = 7.4): 2.5997128
• Log P: 3.8568685
• Molar Refractivity: 93.5251 cm^3
• Polarizability: 36.969967 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.83

Product Information

• Purity: 95%