2-ethoxy-5-(piperidine-1-carbonyl)aniline

• ChemBase ID: 235507
• Molecular Formular: C14H20N2O2
• Molecular Mass: 248.3208
• Monoisotopic Mass: 248.15247789
• SMILES: C(=O)(N1CCCCC1)c1cc(c(cc1)OCC)N
• Canonical SMILES: CCOc1ccc(cc1N)C(=O)N1CCCCC1
• InChI: InChI=1S/C14H20N2O2/c1-2-18-13-7-6-11(10-12(13)15)14(17)16-8-4-3-5-9-16/h6-7,10H,2-5,8-9,15H2,1H3
• InChIKey: YYIPSYQWRNDAMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-5-(piperidine-1-carbonyl)aniline
• IUPAC Traditional name: 2-ethoxy-5-(piperidine-1-carbonyl)aniline
• Synonyms: 2-ethoxy-5-[(piperidin-1-yl)carbonyl]aniline

Database IDs

• MDL Number: MFCD11695230
• PubChem SID: 164291417
• PubChem CID: 28689904

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4892308
• LogD (pH = 7.4): 1.4917824
• Log P: 1.4918151
• Molar Refractivity: 72.984 cm^3
• Polarizability: 27.1392 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143 - 145°C
• Hydrophobicity(logP): 1.861

Product Information

• Purity: 95%