4-(methoxymethyl)-4-methylpiperidine

• ChemBase ID: 246811
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1CCC(COC)(CC1)C
• Canonical SMILES: COCC1(C)CCNCC1
• InChI: InChI=1S/C8H17NO/c1-8(7-10-2)3-5-9-6-4-8/h9H,3-7H2,1-2H3
• InChIKey: IJNPCLRRXFHTIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(methoxymethyl)-4-methylpiperidine
• IUPAC Traditional name: 4-(methoxymethyl)-4-methylpiperidine
• Synonyms: 4-(methoxymethyl)-4-methylpiperidine

Database IDs

• MDL Number: MFCD18277147
• PubChem SID: 164302721
• PubChem CID: 22507725

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.623881
• LogD (pH = 7.4): -2.1467702
• Log P: 0.6069092
• Molar Refractivity: 42.385 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.702

Product Information

• Purity: 95%