ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate

• ChemBase ID: 268261
• Molecular Formular: C11H20N2O3
• Molecular Mass: 228.2881
• Monoisotopic Mass: 228.14739251
• SMILES: N1(C(=O)CNC)CCC(C(=O)OCC)CC1
• Canonical SMILES: CCOC(=O)C1CCN(CC1)C(=O)CNC
• InChI: InChI=1S/C11H20N2O3/c1-3-16-11(15)9-4-6-13(7-5-9)10(14)8-12-2/h9,12H,3-8H2,1-2H3
• InChIKey: BZJHPMPGJMFICO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
• IUPAC Traditional name: ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
• Synonyms: ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate

Database IDs

• MDL Number: MFCD10693239
• PubChem SID: 164324171
• PubChem CID: 43086020

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.47458
• LogD (pH = 7.4): -1.9231186
• Log P: -0.498673
• Molar Refractivity: 60.2932 cm^3
• Polarizability: 23.793913 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.532

Product Information

• Purity: 95%