ethyl 2-(2-ethylpiperidin-1-yl)acetate

• ChemBase ID: 38098
• Molecular Formular: C11H21NO2
• Molecular Mass: 199.28994
• Monoisotopic Mass: 199.15722892
• SMILES: C1(CCCCN1CC(=O)OCC)CC
• Canonical SMILES: CCOC(=O)CN1CCCCC1CC
• InChI: InChI=1S/C11H21NO2/c1-3-10-7-5-6-8-12(10)9-11(13)14-4-2/h10H,3-9H2,1-2H3
• InChIKey: MBBPTLVGQAXZQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2-ethylpiperidin-1-yl)acetate
• IUPAC Traditional name: ethyl 2-(2-ethylpiperidin-1-yl)acetate
• Synonyms: Ethyl (2-ethylpiperidin-1-yl)acetate

Database IDs

• MDL Number: MFCD11618491
• PubChem SID: 161001405
• PubChem CID: 25220821

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.16928805
• LogD (pH = 7.4): 1.5198331
• Log P: 1.9603183
• Molar Refractivity: 56.6752 cm^3
• Polarizability: 22.55125 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false