1-(2-ethoxybenzoyl)piperazine

• ChemBase ID: 259623
• Molecular Formular: C13H18N2O2
• Molecular Mass: 234.29422
• Monoisotopic Mass: 234.13682783
• SMILES: C(=O)(c1c(OCC)cccc1)N1CCNCC1
• Canonical SMILES: CCOc1ccccc1C(=O)N1CCNCC1
• InChI: InChI=1S/C13H18N2O2/c1-2-17-12-6-4-3-5-11(12)13(16)15-9-7-14-8-10-15/h3-6,14H,2,7-10H2,1H3
• InChIKey: WPWMCYXQEOHPMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethoxybenzoyl)piperazine
• IUPAC Traditional name: 1-(2-ethoxybenzoyl)piperazine
• Synonyms: 1-[(2-ethoxyphenyl)carbonyl]piperazine

Database IDs

• MDL Number: MFCD08442725
• PubChem SID: 164315533
• PubChem CID: 13053540

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3395638
• LogD (pH = 7.4): 0.3743262
• Log P: 0.9344466
• Molar Refractivity: 66.897 cm^3
• Polarizability: 25.683657 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82 - 84°C
• Hydrophobicity(logP): 1.507

Product Information

• Purity: 95%