2-phenylpiperazine dihydrochloride

• ChemBase ID: 76323
• Molecular Formular: C10H16Cl2N2
• Molecular Mass: 235.15344
• Monoisotopic Mass: 234.06905388
• SMILES: N1C(c2ccccc2)CNCC1.Cl.Cl
• Canonical SMILES: N1CCNC(C1)c1ccccc1.Cl.Cl
• InChI: InChI=1S/C10H14N2.2ClH/c1-2-4-9(5-3-1)10-8-11-6-7-12-10;;/h1-5,10-12H,6-8H2;2*1H
• InChIKey: OTYKYAFGKCUWRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylpiperazine dihydrochloride
• IUPAC Traditional name: 2-phenylpiperazine dihydrochloride
• Synonyms: 2-Phenylpiperazine dihydrochloride

Database IDs

• MDL Number: MFCD03840168
• PubChem SID: 162041229
• PubChem CID: 17749804

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0731115
• LogD (pH = 7.4): -0.6082303
• Log P: 1.0554334
• Molar Refractivity: 49.7316 cm^3
• Polarizability: 20.058712 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Irritant/Moisture Sensitive