1-(diphenylmethyl)-4-methyl(2,2,6,6-2H4)piperazine hydrochloride

• ChemBase ID: 165168
• Molecular Formular: C18H23ClN2
• Molecular Mass: 302.84162
• Monoisotopic Mass: 302.15497643
• SMILES: C1N(CCN(C1)C(c1ccccc1)c1ccccc1)C.Cl
• Canonical SMILES: CN1CCN(CC1)C(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C18H22N2.ClH/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;1H
• InChIKey: UKPBEPCQTDRZSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diphenylmethyl)-4-methyl(2,2,6,6-^2H₄)piperazine hydrochloride
• IUPAC Traditional name: 1-(diphenylmethyl)-4-methyl(2,2,6,6-^2H₄)piperazine hydrochloride
• Synonyms: 1-(Diphenylmethyl)-4-methylpiperazine-d4 Hydrochloride; Marezine-d4 Hydrochloride; Marzine-d4; N-Benzhydryl-N'-methylpiperazine-d4 Monohydrochloride; Cyclizine-d4 Hydrochloride

Database IDs

• PubChem SID: 162259301
• PubChem CID: 71315065

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: 33.391678 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - C987807

Labelled Cyclizine. It is a piperazine derivative with anti-emetic activity that is useful in the prevention and treatment of nausea and vomiting associated with motion sickness. Antiemetic.

REFERENCES

• Kuntzman, R., et al.: J. Pharmacol. Exp. Ther., 158, 332 (1967)
• Walker, R., et al.: Eur. J. Pharm. Sci., 4, 301 (1967)
• Dumasia, M., et al.: Xenobiotica, 32, 795 (1967)