methyl 4-ethylpiperidine-4-carboxylate

• ChemBase ID: 309582
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: C(=O)(C1(CC)CCNCC1)OC
• Canonical SMILES: CCC1(CCNCC1)C(=O)OC
• InChI: InChI=1S/C9H17NO2/c1-3-9(8(11)12-2)4-6-10-7-5-9/h10H,3-7H2,1-2H3
• InChIKey: VUYOLFCBKTYCAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-ethylpiperidine-4-carboxylate
• IUPAC Traditional name: methyl 4-ethylpiperidine-4-carboxylate
• Synonyms: methyl 4-ethyl-4-piperidinecarboxylate

Database IDs

• CAS Number: 1206228-66-1
• MDL Number: MFCD18272133

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.162906
• LogD (pH = 7.4): -1.1688522
• Log P: 1.0267092
• Molar Refractivity: 46.9464 cm^3
• Polarizability: 18.871552 Å^3
• Polar Surface Area: 38.33 Å^2