1-(4-ethoxybenzoyl)piperidin-4-amine

• ChemBase ID: 252086
• Molecular Formular: C14H20N2O2
• Molecular Mass: 248.3208
• Monoisotopic Mass: 248.15247789
• SMILES: C(=O)(N1CCC(CC1)N)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)C(=O)N1CCC(CC1)N
• InChI: InChI=1S/C14H20N2O2/c1-2-18-13-5-3-11(4-6-13)14(17)16-9-7-12(15)8-10-16/h3-6,12H,2,7-10,15H2,1H3
• InChIKey: SEAOTAWWXMWTKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-ethoxybenzoyl)piperidin-4-amine
• IUPAC Traditional name: 1-(4-ethoxybenzoyl)piperidin-4-amine
• Synonyms: 1-(4-ethoxybenzoyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD08444215
• PubChem SID: 164307996
• PubChem CID: 9115297

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3362749
• LogD (pH = 7.4): -1.767332
• Log P: 0.6815527
• Molar Refractivity: 71.5234 cm^3
• Polarizability: 27.521675 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -°C
• Hydrophobicity(logP): 0.562

Product Information

• Purity: 95%