2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine

• ChemBase ID: 178465
• Molecular Formular: C17H27NO
• Molecular Mass: 261.40238
• Monoisotopic Mass: 261.20926449
• SMILES: C1(CCCC(N1OC(c1ccccc1)C)(C)C)(C)C
• Canonical SMILES: CC(c1ccccc1)ON1C(C)(C)CCCC1(C)C
• InChI: InChI=1S/C17H27NO/c1-14(15-10-7-6-8-11-15)19-18-16(2,3)12-9-13-17(18,4)5/h6-8,10-11,14H,9,12-13H2,1-5H3
• InChIKey: WURBRXPDUPECQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine
• IUPAC Traditional name: 2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine
• Synonyms: 1-(1-Phenylethoxy)-2,2,6,6-tetramethylpiperidine; 1-Phenyl-1-(2,2,6,6-tetramethyl-1-piperidinyloxy)ethane; N-(α-Methylbenzyloxy)-2,2,6,6-tetramethylpiperidine; 2,2,6,6-Tetramethyl-1-(1-phenylethoxy)piperidine

Database IDs

• CAS Number: 154554-67-3
• PubChem SID: 164234375
• PubChem CID: 4172562

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.185711
• LogD (pH = 7.4): 4.188911
• Log P: 4.188952
• Molar Refractivity: 80.2277 cm^3
• Polarizability: 32.112846 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White solid
• Melting Point: 40-45°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - T303750

An inhibitor for stable free radical polymerizations.

REFERENCES

• Matyjaszewski, K., et al.: Macromolecules, 31, 5955 (1998)