1-(diphenylmethyl)-4-methylpiperazine hydrochloride

• ChemBase ID: 104179
• Molecular Formular: C18H23ClN2
• Molecular Mass: 302.84162
• Monoisotopic Mass: 302.15497643
• SMILES: Cl.CN1CCN(CC1)C(c1ccccc1)c1ccccc1
• 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-methylpiperazine hydrochloride
• IUPAC Traditional name: wellcome hydrochloride
• Synonyms: 1-(Diphenylmethyl)-4-methylpiperazine Hydrochloride; Marezine Hydrochloride; Marzine; N-Benzhydryl-N'-methylpiperazine Monohydrochloride; Cyclizine Hydrochloride; N-Benzhydryl-N'-methylpiperazine; 1-Diphenylmethyl-4-methylpiperazine; CYCLIZINE

Database IDs

• CAS Number: 303-25-3
• EC Number: 206-136-9
• PubChem SID: 162092777
• PubChem CID: 6420019

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

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Off-White Solid
• Melting Point: 291-293°C

Safety Information

• Storage Condition: Refrigerator; Room Temperature (15-30°C)
• RTECS: TL6560000

DETAILS

MP Biomedicals - 02155001

(N-Benzhydryl-N'-methylpiperazine; 1-Diphenylmethyl-4-methylpiperazine) Hydrochloride

Toronto Research Chemicals - C987805

Cyclizine 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)