tert-butyl 4-(2-ethoxy-2-oxoethoxy)piperidine-1-carboxylate

• ChemBase ID: 117695
• Molecular Formular: C14H25NO5
• Molecular Mass: 287.352
• Monoisotopic Mass: 287.17327291
• SMILES: C(=O)(N1CCC(CC1)OCC(=O)OCC)OC(C)(C)C
• Canonical SMILES: CCOC(=O)COC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C14H25NO5/c1-5-18-12(16)10-19-11-6-8-15(9-7-11)13(17)20-14(2,3)4/h11H,5-10H2,1-4H3
• InChIKey: BTANMNWDTQXBSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(2-ethoxy-2-oxoethoxy)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(2-ethoxy-2-oxoethoxy)piperidine-1-carboxylate
• Synonyms: tert-butyl 4-(2-ethoxy-2-oxoethoxy)piperidine-1-carboxylate

Database IDs

• MDL Number: MFCD06858765
• PubChem SID: 162102681
• PubChem CID: 10517391

CALCULATED PROPERTIES

• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.032186
• LogD (pH = 7.4): 1.032186
• Log P: 1.032186
• Molar Refractivity: 73.7663 cm^3
• Polarizability: 29.217115 Å^3

PROPERTIES

Physical Property

• Partition Coefficient: 1.66874

Product Information

• Purity: 95+%