2-(2,5-dimethylfuran-3-yl)piperidine

• ChemBase ID: 276883
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(c(oc(c1)C)C)C1NCCCC1
• Canonical SMILES: Cc1oc(c(c1)C1CCCCN1)C
• InChI: InChI=1S/C11H17NO/c1-8-7-10(9(2)13-8)11-5-3-4-6-12-11/h7,11-12H,3-6H2,1-2H3
• InChIKey: WHNORUOQLIDAGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethylfuran-3-yl)piperidine
• IUPAC Traditional name: 2-(2,5-dimethylfuran-3-yl)piperidine
• Synonyms: 2-(2,5-dimethylfuran-3-yl)piperidine

Database IDs

• MDL Number: MFCD18652741
• PubChem SID: 164332793
• PubChem CID: 54594402

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1080539
• LogD (pH = 7.4): 0.26914126
• Log P: 1.981096
• Molar Refractivity: 53.931 cm^3
• Polarizability: 20.724152 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.617

Product Information

• Purity: 95%