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

• ChemBase ID: 60593
• Molecular Formular: C14H25NO4
• Molecular Mass: 271.3526
• Monoisotopic Mass: 271.17835829
• SMILES: C1N(CCC(C1)CC(=O)OCC)C(=O)OC(C)(C)C
• Canonical SMILES: CCOC(=O)CC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C14H25NO4/c1-5-18-12(16)10-11-6-8-15(9-7-11)13(17)19-14(2,3)4/h11H,5-10H2,1-4H3
• InChIKey: PQEXLIRUMIRSAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 135716-09-5
• MDL Number: MFCD08275143
• PubChem SID: 162026334
• PubChem CID: 9993342

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8547287
• LogD (pH = 7.4): 1.8547287
• Log P: 1.8547287
• Molar Refractivity: 72.1632 cm^3
• Polarizability: 28.487598 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%