benzyl N-[(piperidin-2-yl)methyl]carbamate

• ChemBase ID: 808907
• Molecular Formular: C14H20N2O2
• Molecular Mass: 248.3208
• Monoisotopic Mass: 248.15247789
• SMILES: N(C(=O)OCc1ccccc1)CC1NCCCC1
• Canonical SMILES: O=C(OCc1ccccc1)NCC1CCCCN1
• InChI: InChI=1S/C14H20N2O2/c17-14(16-10-13-8-4-5-9-15-13)18-11-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17)
• InChIKey: BHVZGRBXEXJUCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl N-[(piperidin-2-yl)methyl]carbamate
• IUPAC Traditional name: benzyl N-(piperidin-2-ylmethyl)carbamate
• Synonyms: PIPERIDIN-2-YLMETHYL-CARBAMIC ACID BENZYL ESTER

Database IDs

• CAS Number: 184044-09-5

CALCULATED PROPERTIES

• Acid pKa: 15.127065
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1044008
• LogD (pH = 7.4): -0.09445431
• Log P: 2.0828817
• Molar Refractivity: 70.1354 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: 98%