methyl 3-methylpiperidine-3-carboxylate

• ChemBase ID: 309566
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C1(C(=O)OC)(CNCCC1)C
• Canonical SMILES: COC(=O)C1(C)CCCNC1
• InChI: InChI=1S/C8H15NO2/c1-8(7(10)11-2)4-3-5-9-6-8/h9H,3-6H2,1-2H3
• InChIKey: QWGSXOQEGUGWMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-methylpiperidine-3-carboxylate
• IUPAC Traditional name: methyl 3-methylpiperidine-3-carboxylate
• Synonyms: methyl 3-methyl-3-piperidinecarboxylate

Database IDs

• MDL Number: MFCD11045408

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4199548
• LogD (pH = 7.4): -1.2537214
• Log P: 0.738048
• Molar Refractivity: 42.1914 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 38.33 Å^2