tert-butyl 4-[2-(methanesulfonyloxy)ethyl]piperidine-1-carboxylate

• ChemBase ID: 272805
• Molecular Formular: C13H25NO5S
• Molecular Mass: 307.4063
• Monoisotopic Mass: 307.14534391
• SMILES: S(=O)(=O)(OCCC1CCN(C(=O)OC(C)(C)C)CC1)C
• Canonical SMILES: O=C(N1CCC(CC1)CCOS(=O)(=O)C)OC(C)(C)C
• InChI: InChI=1S/C13H25NO5S/c1-13(2,3)19-12(15)14-8-5-11(6-9-14)7-10-18-20(4,16)17/h11H,5-10H2,1-4H3
• InChIKey: WSNYPQZNUKSYBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-[2-(methanesulfonyloxy)ethyl]piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-[2-(methanesulfonyloxy)ethyl]piperidine-1-carboxylate
• Synonyms: tert-butyl 4-[2-(methanesulfonyloxy)ethyl]piperidine-1-carboxylate

Database IDs

• MDL Number: MFCD11007804
• PubChem SID: 164328715
• PubChem CID: 15229596

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1717541
• LogD (pH = 7.4): 1.1717541
• Log P: 1.1717541
• Molar Refractivity: 75.6613 cm^3
• Polarizability: 30.80358 Å^3
• Polar Surface Area: 72.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.215

Product Information

• Purity: 95%