5-(2-methylpiperidin-1-yl)furan-2-carbaldehyde

• ChemBase ID: 17881
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: c1(N2C(CCCC2)C)oc(cc1)C=O
• Canonical SMILES: O=Cc1ccc(o1)N1CCCCC1C
• InChI: InChI=1S/C11H15NO2/c1-9-4-2-3-7-12(9)11-6-5-10(8-13)14-11/h5-6,8-9H,2-4,7H2,1H3
• InChIKey: VEESJKGXTHDKKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methylpiperidin-1-yl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(2-methylpiperidin-1-yl)furan-2-carbaldehyde
• Synonyms: 5-(2-Methyl-piperidin-1-yl)-furan-2-carbaldehyde

Database IDs

• CAS Number: 876710-46-2
• MDL Number: MFCD07801101
• PubChem SID: 160981188
• PubChem CID: 6483862

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.210271
• LogD (pH = 7.4): 2.210271
• Log P: 2.210271
• Molar Refractivity: 55.2756 cm^3
• Polarizability: 20.56045 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false