1-(diphenylmethyl)-4-[(2Z)-3-phenylprop-2-en-1-yl](2H8)piperazine

• ChemBase ID: 164775
• Molecular Formular: C26H28N2
• Molecular Mass: 368.51392
• Monoisotopic Mass: 368.22524891
• SMILES: c1ccccc1C(c1ccccc1)N1CCN(CC1)C/C=C\c1ccccc1
• Canonical SMILES: c1ccc(cc1)/C=C\CN1CCN(CC1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10-
• InChIKey: DERZBLKQOCDDDZ-RAXLEYEMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diphenylmethyl)-4-[(2Z)-3-phenylprop-2-en-1-yl](^2H₈)piperazine
• IUPAC Traditional name: 1-(diphenylmethyl)-4-[(2Z)-3-phenylprop-2-en-1-yl](^2H₈)piperazine
• Synonyms: 1-(Diphenylmethyl)-4-[(2Z)-3-phenyl-2-propen-1-yl]piperazine-d8; (Z)-1-(Diphenylmethyl)-4-(3-phenyl-2-propenyl)piperazine-d8; cis-Cinnarizine-d8; (Z)-Cinnarizine-d8

Database IDs

• PubChem SID: 162258910
• PubChem CID: 71314869

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0775893
• LogD (pH = 7.4): 4.841679
• Log P: 5.880391
• Molar Refractivity: 119.8648 cm^3
• Polarizability: 46.58107 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - C465292

The labelled Z-isomer of Cinnarizine (C465300).

REFERENCES

• Barber, J.H., et al.: Pharmatherapeutica, 2, 401 (1980)
• Spedding, M., et al.: Arch. Pharmacol., 318, 234 (1980)
• Morad, et al.: Pharmacol. Res., 35, 177 (1997)