benzyl N-(4-methylpiperidin-4-yl)carbamate

• ChemBase ID: 813324
• Molecular Formular: C14H20N2O2
• Molecular Mass: 248.3208
• Monoisotopic Mass: 248.15247789
• SMILES: C1(CCNCC1)(C)NC(=O)OCc1ccccc1
• Canonical SMILES: O=C(NC1(C)CCNCC1)OCc1ccccc1
• InChI: InChI=1S/C14H20N2O2/c1-14(7-9-15-10-8-14)16-13(17)18-11-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3,(H,16,17)
• InChIKey: SGDSAOOGSGZQQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl N-(4-methylpiperidin-4-yl)carbamate
• IUPAC Traditional name: benzyl N-(4-methylpiperidin-4-yl)carbamate
• Synonyms: 4-BENZYLOXYCARBONYLAMINO-4-METHYL-PIPERIDINE

Database IDs

• CAS Number: 163271-08-7

CALCULATED PROPERTIES

• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.801961
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7576344
• LogD (pH = 7.4): -1.0570439
• Log P: 1.4614868
• Molar Refractivity: 70.3934 cm^3
• Polarizability: 27.75275 Å^3

PROPERTIES

Product Information

• Purity: 98%