ethyl 2-(2,6-dimethylpiperidin-1-yl)acetate

• ChemBase ID: 57179
• Molecular Formular: C11H21NO2
• Molecular Mass: 199.28994
• Monoisotopic Mass: 199.15722892
• SMILES: C1C(C)N(C(CC1)C)CC(=O)OCC
• Canonical SMILES: CCOC(=O)CN1C(C)CCCC1C
• InChI: InChI=1S/C11H21NO2/c1-4-14-11(13)8-12-9(2)6-5-7-10(12)3/h9-10H,4-8H2,1-3H3
• InChIKey: JYBUIEFDKQAFSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2,6-dimethylpiperidin-1-yl)acetate
• IUPAC Traditional name: ethyl 2-(2,6-dimethylpiperidin-1-yl)acetate
• Synonyms: Ethyl (2,6-dimethylpiperidin-1-yl)acetate

Database IDs

• MDL Number: MFCD07061470
• PubChem SID: 162061942
• PubChem CID: 22197950

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.26879418
• LogD (pH = 7.4): 1.418188
• Log P: 1.854371
• Molar Refractivity: 56.57 cm^3
• Polarizability: 22.55125 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false