1-(3,4-dimethoxyphenyl)piperazine hydrochloride

• ChemBase ID: 815802
• Molecular Formular: C12H19ClN2O2
• Molecular Mass: 258.74446
• Monoisotopic Mass: 258.11350554
• SMILES: Cl.C1CNCCN1c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)N1CCNCC1.Cl
• InChI: InChI=1S/C12H18N2O2.ClH/c1-15-11-4-3-10(9-12(11)16-2)14-7-5-13-6-8-14;/h3-4,9,13H,5-8H2,1-2H3;1H
• InChIKey: WXLJIVYSDTVIHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,4-dimethoxyphenyl)piperazine hydrochloride
• IUPAC Traditional name: 1-(3,4-dimethoxyphenyl)piperazine hydrochloride
• Synonyms: 1-(3,4-DIMETHOXYPHENYL)PIPERAZINE HYDROCHLORIDE

Database IDs

• CAS Number: 16015-72-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7780974
• LogD (pH = 7.4): -0.2644325
• Log P: 1.2300187
• Molar Refractivity: 64.1684 cm^3
• Polarizability: 24.665682 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%