4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzaldehyde

• ChemBase ID: 312648
• Molecular Formular: C16H23NO2
• Molecular Mass: 261.35932
• Monoisotopic Mass: 261.17287898
• SMILES: N1(CC(CC(C1)C)C)CCOc1ccc(C=O)cc1
• Canonical SMILES: O=Cc1ccc(cc1)OCCN1CC(C)CC(C1)C
• InChI: InChI=1S/C16H23NO2/c1-13-9-14(2)11-17(10-13)7-8-19-16-5-3-15(12-18)4-6-16/h3-6,12-14H,7-11H2,1-2H3
• InChIKey: RAKUMOBFTRTYFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzaldehyde
• IUPAC Traditional name: 4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzaldehyde
• Synonyms: 4-[2-(3,5-dimethyl-1-piperidinyl)ethoxy]benzaldehyde

Database IDs

• MDL Number: MFCD08691989

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.1417761
• LogD (pH = 7.4): 1.8626329
• Log P: 3.1270332
• Molar Refractivity: 78.2095 cm^3
• Polarizability: 30.274836 Å^3
• Polar Surface Area: 29.54 Å^2