1-(4-ethylphenyl)piperazine

• ChemBase ID: 284703
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(c2ccc(cc2)CC)CCNCC1
• Canonical SMILES: CCc1ccc(cc1)N1CCNCC1
• InChI: InChI=1S/C12H18N2/c1-2-11-3-5-12(6-4-11)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
• InChIKey: GLJGLGNGUCOPBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-ethylphenyl)piperazine
• IUPAC Traditional name: 1-(4-ethylphenyl)piperazine
• Synonyms: 1-(4-ethylphenyl)piperazine

Database IDs

• MDL Number: MFCD05182245
• PubChem SID: 180670234
• PubChem CID: 3265804

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5084131
• LogD (pH = 7.4): 1.0005134
• Log P: 2.5033514
• Molar Refractivity: 60.8842 cm^3
• Polarizability: 23.269547 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.612

Product Information

• Purity: 95%