2-[(4-ethylphenyl)methyl]piperazine

• ChemBase ID: 807968
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: C1(CNCCN1)Cc1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)CC1NCCNC1
• InChI: InChI=1S/C13H20N2/c1-2-11-3-5-12(6-4-11)9-13-10-14-7-8-15-13/h3-6,13-15H,2,7-10H2,1H3
• InChIKey: YUMSAHSUJSKOMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-ethylphenyl)methyl]piperazine
• IUPAC Traditional name: 2-[(4-ethylphenyl)methyl]piperazine
• Synonyms: 2-(4-ETHYL-BENZYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.9818464
• LogD (pH = 7.4): 0.34885967
• Log P: 2.3020847
• Molar Refractivity: 64.1288 cm^3
• Polarizability: 25.439507 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%