methyl 1-methylpiperidine-3-carboxylate

• ChemBase ID: 286770
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: O=C(C1CN(C)CCC1)OC
• Canonical SMILES: COC(=O)C1CCCN(C1)C
• InChI: InChI=1S/C8H15NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h7H,3-6H2,1-2H3
• InChIKey: LLEOWWWENNCINW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-methylpiperidine-3-carboxylate
• IUPAC Traditional name: methyl 1-methylpiperidine-3-carboxylate
• Synonyms: Methyl 1-methylpiperidine-3-carboxylate

Database IDs

• CAS Number: 1690-72-8
• PubChem SID: 180672301
• PubChem CID: 15535

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.5231144
• LogD (pH = 7.4): -0.84826493
• Log P: 0.56508166
• Molar Refractivity: 42.9851 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%