2,4-diethyl piperidine-2,4-dicarboxylate

• ChemBase ID: 236255
• Molecular Formular: C11H19NO4
• Molecular Mass: 229.27286
• Monoisotopic Mass: 229.13140809
• SMILES: C(=O)(C1CC(C(=O)OCC)CCN1)OCC
• Canonical SMILES: CCOC(=O)C1CCNC(C1)C(=O)OCC
• InChI: InChI=1S/C11H19NO4/c1-3-15-10(13)8-5-6-12-9(7-8)11(14)16-4-2/h8-9,12H,3-7H2,1-2H3
• InChIKey: JLXRBGYOTRAJHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-diethyl piperidine-2,4-dicarboxylate
• IUPAC Traditional name: 2,4-diethyl piperidine-2,4-dicarboxylate
• Synonyms: 2,4-diethyl piperidine-2,4-dicarboxylate

Database IDs

• MDL Number: MFCD22196552
• PubChem SID: 164292165
• PubChem CID: 21186556

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.0754435
• LogD (pH = 7.4): 0.5638925
• Log P: 0.57557577
• Molar Refractivity: 57.9406 cm^3
• Polarizability: 23.368298 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.741

Product Information

• Purity: 95%