1-[2-(2-methoxyethoxy)phenyl]piperazine dihydrochloride

• ChemBase ID: 238015
• Molecular Formular: C13H22Cl2N2O2
• Molecular Mass: 309.23198
• Monoisotopic Mass: 308.10583331
• SMILES: N1(c2c(OCCOC)cccc2)CCNCC1.Cl.Cl
• Canonical SMILES: COCCOc1ccccc1N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C13H20N2O2.2ClH/c1-16-10-11-17-13-5-3-2-4-12(13)15-8-6-14-7-9-15;;/h2-5,14H,6-11H2,1H3;2*1H
• InChIKey: IVPDNKLLTYCCFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2-methoxyethoxy)phenyl]piperazine dihydrochloride
• IUPAC Traditional name: 1-[2-(2-methoxyethoxy)phenyl]piperazine dihydrochloride
• Synonyms: 1-[2-(2-methoxyethoxy)phenyl]piperazine dihydrochloride

Database IDs

• MDL Number: MFCD18914371
• PubChem SID: 164293925
• PubChem CID: 53407153

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6474065
• LogD (pH = 7.4): -0.10947497
• Log P: 1.3407146
• Molar Refractivity: 68.7487 cm^3
• Polarizability: 26.523909 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 176 - 178°C
• Hydrophobicity(logP): 1.497

Product Information

• Purity: 95%