2-[2-oxo-2-(piperidin-1-yl)ethoxy]benzaldehyde

• ChemBase ID: 312583
• Molecular Formular: C14H17NO3
• Molecular Mass: 247.28968
• Monoisotopic Mass: 247.12084341
• SMILES: C(=O)(N1CCCCC1)COc1c(C=O)cccc1
• Canonical SMILES: O=Cc1ccccc1OCC(=O)N1CCCCC1
• InChI: InChI=1S/C14H17NO3/c16-10-12-6-2-3-7-13(12)18-11-14(17)15-8-4-1-5-9-15/h2-3,6-7,10H,1,4-5,8-9,11H2
• InChIKey: KHYZSSDWPPTXEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-oxo-2-(piperidin-1-yl)ethoxy]benzaldehyde
• IUPAC Traditional name: 2-[2-oxo-2-(piperidin-1-yl)ethoxy]benzaldehyde
• Synonyms: 2-[2-oxo-2-(1-piperidinyl)ethoxy]benzaldehyde

Database IDs

• CAS Number: 125418-89-5
• MDL Number: MFCD08691969

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4968358
• LogD (pH = 7.4): 1.4968358
• Log P: 1.4968358
• Molar Refractivity: 68.9474 cm^3
• Polarizability: 26.277739 Å^3
• Polar Surface Area: 46.61 Å^2