1-(4-ethoxyphenyl)piperazine dihydrochloride

• ChemBase ID: 241810
• Molecular Formular: C12H20Cl2N2O
• Molecular Mass: 279.206
• Monoisotopic Mass: 278.09526863
• SMILES: N1(c2ccc(cc2)OCC)CCNCC1.Cl.Cl
• Canonical SMILES: CCOc1ccc(cc1)N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C12H18N2O.2ClH/c1-2-15-12-5-3-11(4-6-12)14-9-7-13-8-10-14;;/h3-6,13H,2,7-10H2,1H3;2*1H
• InChIKey: OPALMZRNXAHOEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12913780
• PubChem SID: 164297720
• PubChem CID: 23288741

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2691202
• LogD (pH = 7.4): 0.23735929
• Log P: 1.744498
• Molar Refractivity: 62.4538 cm^3
• Polarizability: 23.995344 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 221 - 223°C
• Hydrophobicity(logP): 2.136

Product Information

• Purity: 95%