1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indole-3-carbaldehyde

• ChemBase ID: 311761
• Molecular Formular: C17H20N2O2
• Molecular Mass: 284.3529
• Monoisotopic Mass: 284.15247789
• SMILES: n1(cc(c2c1cccc2)C=O)CC(=O)N1CCC(CC1)C
• Canonical SMILES: O=Cc1cn(c2c1cccc2)CC(=O)N1CCC(CC1)C
• InChI: InChI=1S/C17H20N2O2/c1-13-6-8-18(9-7-13)17(21)11-19-10-14(12-20)15-4-2-3-5-16(15)19/h2-5,10,12-13H,6-9,11H2,1H3
• InChIKey: QEWGIAOPLZIQRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indole-3-carbaldehyde
• IUPAC Traditional name: 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
• Synonyms: 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indole-3-carbaldehyde

Database IDs

• CAS Number: 347320-62-1
• MDL Number: MFCD02904577

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2639642
• LogD (pH = 7.4): 2.2639642
• Log P: 2.2639642
• Molar Refractivity: 83.016 cm^3
• Polarizability: 32.651875 Å^3
• Polar Surface Area: 42.31 Å^2