2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate

• ChemBase ID: 286780
• Molecular Formular: C17H31NO4
• Molecular Mass: 313.43234
• Monoisotopic Mass: 313.22530848
• SMILES: CC1(C)N(CCOC(=O)CCC(=O)C)C(C)(C)CC(OC)C1
• Canonical SMILES: COC1CC(C)(C)N(C(C1)(C)C)CCOC(=O)CCC(=O)C
• InChI: InChI=1S/C17H31NO4/c1-13(19)7-8-15(20)22-10-9-18-16(2,3)11-14(21-6)12-17(18,4)5/h14H,7-12H2,1-6H3
• InChIKey: CTJXKCPBMVLOQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate
• IUPAC Traditional name: 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate
• Synonyms: Poly(4-hydroxy-2,2,6,6-tetramethyl-1-piperidineethanol-alt-1,4-butanedioic acid)

Database IDs

• CAS Number: 65447-77-0
• MDL Number: MFCD02688598
• PubChem SID: 180672311
• PubChem CID: 22946613

CALCULATED PROPERTIES

• Acid pKa: 17.537916
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4669654
• LogD (pH = 7.4): 0.2743205
• Log P: 1.4511706
• Molar Refractivity: 86.4658 cm^3
• Polarizability: 34.376087 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%