2-[methyl(1-methylpiperidin-4-yl)amino]benzaldehyde

• ChemBase ID: 259358
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: N(c1c(C=O)cccc1)(C1CCN(CC1)C)C
• Canonical SMILES: O=Cc1ccccc1N(C1CCN(CC1)C)C
• InChI: InChI=1S/C14H20N2O/c1-15-9-7-13(8-10-15)16(2)14-6-4-3-5-12(14)11-17/h3-6,11,13H,7-10H2,1-2H3
• InChIKey: ACKDRESIRKZHFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[methyl(1-methylpiperidin-4-yl)amino]benzaldehyde
• IUPAC Traditional name: 2-[methyl(1-methylpiperidin-4-yl)amino]benzaldehyde
• Synonyms: 2-[methyl(1-methylpiperidin-4-yl)amino]benzaldehyde

Database IDs

• MDL Number: MFCD07365238
• PubChem SID: 164315268
• PubChem CID: 28603713

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6843517
• LogD (pH = 7.4): 1.083731
• Log P: 1.8205981
• Molar Refractivity: 72.5217 cm^3
• Polarizability: 27.05899 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.072

Product Information

• Purity: 95%