4-methoxy-4-methylpiperidine

• ChemBase ID: 246916
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(CCNCC1)(OC)C
• Canonical SMILES: COC1(C)CCNCC1
• InChI: InChI=1S/C7H15NO/c1-7(9-2)3-5-8-6-4-7/h8H,3-6H2,1-2H3
• InChIKey: NHVNKCKANZAOOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-4-methylpiperidine
• IUPAC Traditional name: 4-methoxy-4-methylpiperidine
• Synonyms: 4-methoxy-4-methylpiperidine

Database IDs

• MDL Number: MFCD12828102
• PubChem SID: 164302826
• PubChem CID: 20373710

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1704216
• LogD (pH = 7.4): -2.4725628
• Log P: 0.04888429
• Molar Refractivity: 37.8071 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.083

Product Information

• Purity: 95%