methyl 1-methylpiperidine-4-carboxylate

• ChemBase ID: 261938
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(=O)(C1CCN(CC1)C)OC
• Canonical SMILES: COC(=O)C1CCN(CC1)C
• InChI: InChI=1S/C8H15NO2/c1-9-5-3-7(4-6-9)8(10)11-2/h7H,3-6H2,1-2H3
• InChIKey: KYAOKPRJTMFBTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-methylpiperidine-4-carboxylate
• IUPAC Traditional name: methyl 1-methylpiperidine-4-carboxylate
• Synonyms: methyl 1-methylpiperidine-4-carboxylate

Database IDs

• CAS Number: 1690-75-1
• MDL Number: MFCD06658483
• PubChem SID: 164317848
• PubChem CID: 3616844

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.296932
• LogD (pH = 7.4): -0.5245241
• Log P: 0.40917417
• Molar Refractivity: 43.1391 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.07

Product Information

• Purity: 95%; 95+%; 97%