benzyl 4-[(methanesulfonyloxy)methyl]piperidine-1-carboxylate

• ChemBase ID: 796167
• Molecular Formular: C15H21NO5S
• Molecular Mass: 327.39594
• Monoisotopic Mass: 327.11404378
• SMILES: C1(CCN(CC1)C(=O)OCc1ccccc1)COS(=O)(=O)C
• Canonical SMILES: O=C(N1CCC(CC1)COS(=O)(=O)C)OCc1ccccc1
• InChI: InChI=1S/C15H21NO5S/c1-22(18,19)21-12-14-7-9-16(10-8-14)15(17)20-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
• InChIKey: IEWBROJCHGYFSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 4-[(methanesulfonyloxy)methyl]piperidine-1-carboxylate
• IUPAC Traditional name: benzyl 4-[(methanesulfonyloxy)methyl]piperidine-1-carboxylate
• Synonyms: Benzyl 4-(((Methylsulfonyl)oxy)Methyl)piperidine-1-carboxylate

Database IDs

• CAS Number: 159275-16-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4756526
• LogD (pH = 7.4): 1.4756526
• Log P: 1.4756526
• Molar Refractivity: 81.7903 cm^3
• Polarizability: 32.996986 Å^3
• Polar Surface Area: 72.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%