1-methyl-2-phenylpiperazine dihydrochloride

• ChemBase ID: 15855
• Molecular Formular: C11H18Cl2N2
• Molecular Mass: 249.18002
• Monoisotopic Mass: 248.08470395
• SMILES: N1(C(CNCC1)c1ccccc1)C.Cl.Cl
• Canonical SMILES: CN1CCNCC1c1ccccc1.Cl.Cl
• InChI: InChI=1S/C11H16N2.2ClH/c1-13-8-7-12-9-11(13)10-5-3-2-4-6-10;;/h2-6,11-12H,7-9H2,1H3;2*1H
• InChIKey: UUWIVSPJWMORHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2-phenylpiperazine dihydrochloride
• IUPAC Traditional name: 1-methyl-2-phenylpiperazine dihydrochloride
• Synonyms: 1-Methyl-2-phenylpiperazine dihydrochloride

Database IDs

• CAS Number: 5271-28-3
• MDL Number: MFCD06801077
• PubChem SID: 160979162
• PubChem CID: 45075097

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8025811
• LogD (pH = 7.4): -0.30035526
• Log P: 1.4384813
• Molar Refractivity: 55.0263 cm^3
• Polarizability: 21.905655 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false