benzyl N-(piperidin-4-ylmethyl)carbamate

• ChemBase ID: 293857
• Molecular Formular: C14H20N2O2
• Molecular Mass: 248.3208
• Monoisotopic Mass: 248.15247789
• SMILES: O=C(OCc1ccccc1)NCC1CCNCC1
• Canonical SMILES: O=C(OCc1ccccc1)NCC1CCNCC1
• InChI: InChI=1S/C14H20N2O2/c17-14(16-10-12-6-8-15-9-7-12)18-11-13-4-2-1-3-5-13/h1-5,12,15H,6-11H2,(H,16,17)
• InChIKey: BZHPVEHRXAKHMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl N-(piperidin-4-ylmethyl)carbamate
• IUPAC Traditional name: benzyl N-(piperidin-4-ylmethyl)carbamate
• Synonyms: Benzyl (piperidin-4-ylmethyl)carbamate

Database IDs

• CAS Number: 132431-09-5
• PubChem SID: 180679388
• PubChem CID: 14809798

CALCULATED PROPERTIES

• Acid pKa: 15.694662
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.579755
• LogD (pH = 7.4): -0.9121038
• Log P: 1.641511
• Molar Refractivity: 70.5732 cm^3
• Polarizability: 27.75275 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%