4,5-dimethoxy-2-(piperidine-1-carbonyl)aniline

• ChemBase ID: 256550
• Molecular Formular: C14H20N2O3
• Molecular Mass: 264.3202
• Monoisotopic Mass: 264.14739251
• SMILES: c1(C(=O)N2CCCCC2)c(cc(c(c1)OC)OC)N
• Canonical SMILES: COc1cc(c(cc1OC)N)C(=O)N1CCCCC1
• InChI: InChI=1S/C14H20N2O3/c1-18-12-8-10(11(15)9-13(12)19-2)14(17)16-6-4-3-5-7-16/h8-9H,3-7,15H2,1-2H3
• InChIKey: NQNODWCNTAISSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dimethoxy-2-(piperidine-1-carbonyl)aniline
• IUPAC Traditional name: 4,5-dimethoxy-2-(piperidine-1-carbonyl)aniline
• Synonyms: 4,5-dimethoxy-2-(piperidin-1-ylcarbonyl)aniline

Database IDs

• MDL Number: MFCD09733825
• PubChem SID: 164312460
• PubChem CID: 16090655

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6255782
• LogD (pH = 7.4): 1.6273137
• Log P: 1.6273359
• Molar Refractivity: 74.6986 cm^3
• Polarizability: 27.833729 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.592

Product Information

• Purity: 95%