2-(2,6-dimethylpiperidine-1-carbonyl)-4,5-dimethoxyaniline

• ChemBase ID: 256549
• Molecular Formular: C16H24N2O3
• Molecular Mass: 292.37336
• Monoisotopic Mass: 292.17869264
• SMILES: C(=O)(c1c(cc(c(c1)OC)OC)N)N1C(CCCC1C)C
• Canonical SMILES: COc1cc(c(cc1OC)N)C(=O)N1C(C)CCCC1C
• InChI: InChI=1S/C16H24N2O3/c1-10-6-5-7-11(2)18(10)16(19)12-8-14(20-3)15(21-4)9-13(12)17/h8-11H,5-7,17H2,1-4H3
• InChIKey: XROHDCHIGKJPAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylpiperidine-1-carbonyl)-4,5-dimethoxyaniline
• IUPAC Traditional name: 2-(2,6-dimethylpiperidine-1-carbonyl)-4,5-dimethoxyaniline
• Synonyms: 2-[(2,6-dimethylpiperidin-1-yl)carbonyl]-4,5-dimethoxyaniline

Database IDs

• MDL Number: MFCD09729555
• PubChem SID: 164312459
• PubChem CID: 16782848

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.458588
• LogD (pH = 7.4): 2.460462
• Log P: 2.460486
• Molar Refractivity: 83.5362 cm^3
• Polarizability: 31.507244 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.63

Product Information

• Purity: 95%