1-(diphenylmethyl)-4-methylpiperazine dihydrochloride

• ChemBase ID: 312975
• Molecular Formular: C18H24Cl2N2
• Molecular Mass: 339.30256
• Monoisotopic Mass: 338.13165414
• SMILES: C1CN(CCN1C)C(c1ccccc1)c1ccccc1.Cl.Cl
• Canonical SMILES: CN1CCN(CC1)C(c1ccccc1)c1ccccc1.Cl.Cl
• InChI: InChI=1S/C18H22N2.2ClH/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;;/h2-11,18H,12-15H2,1H3;2*1H
• InChIKey: CKLJCUGYMOMAEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diphenylmethyl)-4-methylpiperazine dihydrochloride
• IUPAC Traditional name: cyclizine dihydrochloride
• Synonyms: Cyclizine 2HCl

Database IDs

• CAS Number: 5897-18-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.65597045
• LogD (pH = 7.4): 2.405105
• Log P: 3.5460024
• Molar Refractivity: 84.9336 cm^3
• Polarizability: 33.39166 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Histamine Receptor

Product Information

• Salt Data: HCl