methyl 4-methylpiperidine-4-carboxylate

• ChemBase ID: 309590
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(=O)(C1(CCNCC1)C)OC
• Canonical SMILES: COC(=O)C1(C)CCNCC1
• InChI: InChI=1S/C8H15NO2/c1-8(7(10)11-2)3-5-9-6-4-8/h9H,3-6H2,1-2H3
• InChIKey: KMROKLMQVGAOMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-methylpiperidine-4-carboxylate
• IUPAC Traditional name: methyl 4-methylpiperidine-4-carboxylate
• Synonyms: methyl 4-methyl-4-piperidinecarboxylate

Database IDs

• CAS Number: 892493-16-2
• MDL Number: MFCD13178892

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6075711
• LogD (pH = 7.4): -1.61419
• Log P: 0.5821405
• Molar Refractivity: 42.3454 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 38.33 Å^2