4-methyl-2-(5-methylfuran-2-yl)piperidine

• ChemBase ID: 284988
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(oc(cc1)C)C1NCCC(C1)C
• Canonical SMILES: CC1CCNC(C1)c1ccc(o1)C
• InChI: InChI=1S/C11H17NO/c1-8-5-6-12-10(7-8)11-4-3-9(2)13-11/h3-4,8,10,12H,5-7H2,1-2H3
• InChIKey: VSCIJPMQUFXFGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(5-methylfuran-2-yl)piperidine
• IUPAC Traditional name: 4-methyl-2-(5-methylfuran-2-yl)piperidine
• Synonyms: 4-methyl-2-(5-methylfuran-2-yl)piperidine

Database IDs

• MDL Number: MFCD20731185
• PubChem SID: 180670519
• PubChem CID: 56828068

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.83110064
• LogD (pH = 7.4): 0.83518463
• Log P: 1.988555
• Molar Refractivity: 53.2074 cm^3
• Polarizability: 20.802265 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.687

Product Information

• Purity: 95%