methyl 1-methylpiperidine-2-carboxylate

• ChemBase ID: 294053
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: O=C(C1N(C)CCCC1)OC
• Canonical SMILES: COC(=O)C1CCCCN1C
• InChI: InChI=1S/C8H15NO2/c1-9-6-4-3-5-7(9)8(10)11-2/h7H,3-6H2,1-2H3
• InChIKey: YZEGGKQFWJCIQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-methylpiperidine-2-carboxylate
• IUPAC Traditional name: methyl 1-methylpiperidine-2-carboxylate
• Synonyms: Methyl 1-methylpiperidine-2-carboxylate

Database IDs

• CAS Number: 1690-74-0
• PubChem SID: 180679584
• PubChem CID: 12957464

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.8096414
• LogD (pH = 7.4): 0.67025733
• Log P: 0.87636924
• Molar Refractivity: 42.7291 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+%