Cas no 52468-60-7 (1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine)

1-Bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine is a piperazine-derived compound featuring a bis(4-fluorophenyl)methyl group and a trans-cinnamyl substituent. This structure imparts unique physicochemical properties, including enhanced lipophilicity and potential bioactivity, making it of interest in pharmaceutical and agrochemical research. The presence of fluorine atoms may improve metabolic stability and binding affinity, while the conjugated double bond in the cinnamyl moiety offers reactivity for further derivatization. Its well-defined stereochemistry (E-configuration) ensures consistency in applications requiring precise molecular interactions. Suitable for use as an intermediate in drug discovery, this compound demonstrates versatility in synthetic pathways, particularly for developing CNS-targeting or antimicrobial agents. High purity and structural specificity support its utility in method development and structure-activity relationship studies.
1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine structure
52468-60-7 structure
Product Name:1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine
CAS No:52468-60-7
MF:C26H26F2N2
MW:404.494853496552
MDL:MFCD00242731
CID:56240
PubChem ID:941361
Update Time:2025-06-11

1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine Chemical and Physical Properties

Names and Identifiers

    • 1-(Bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine
    • (e)-1-(bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propenyl)piperazine
    • FLUNARIZINE
    • (e)-1-[bis(4-fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)piperazine
    • (E)-1-[bis(4-fluorophenyl)methyl]-4-(cinnamyl)piperazine
    • (E)-1-[Bis-(p-fluorophenyl)methyl]-4-cinnamylpiperazine
    • (e)-piperazin
    • 1-[bis(4-fluorophenyl)methyl]-4-(3
    • 1-[Bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenyl-2-propenyl]piperazine
    • 1-[Bis(4-fluorophenyl)methyl]-4-[(E)-3-phenyl-2-propenyl]piperazine
    • 1-[bis(4-fluorophenyl)methyl]-4-cinnamylpiperazine
    • Fluarizine
    • flunarazine
    • 1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine
    • Prestwick3_000312
    • Flunarizina [INN-Spanish]
    • R14950
    • NCGC00018102-06
    • UNII-R7PLA2DM0J
    • Flunarizinum
    • BRD-K29582677-300-05-6
    • CHEBI:135652
    • BSPBio_000304
    • FLUNARIZINE [MI]
    • DB04841
    • 1-[Bis-(4-fluoro-phenyl)-methyl]-4-(3-phenyl-allyl)-piperazine(Flunarizine)
    • 1-[Bis(4-fluorophenyl)methyl]-4-[(2Z)-3-phenyl-2-propen-1-yl]piperazine
    • SBI-0050510.P003
    • BRD-K29582677-300-06-4
    • CHEMBL30008
    • 4-((2E)-3-phenylprop-2-enyl)-1-[bis(4-fluorophenyl)methyl]piperazine
    • SCHEMBL43441
    • NCGC00024308-06
    • 1-[bis(4-fluorophenyl)methyl]-4-[(E)-cinnamyl]piperazine
    • AB00053586_17
    • Prestwick2_000312
    • NCGC00024308-07
    • Q416237
    • BSPBio_001341
    • 52468-60-7
    • BRD-K29582677-001-02-7
    • Flunarizine2HCl
    • FLUNARIZINE [WHO-DD]
    • EN300-22842458
    • DTXSID6045616
    • Spectrum5_001570
    • N07CA03
    • BSPBio_003096
    • BDBM50017702
    • Flunarizinum [INN-Latin]
    • NCGC00018102-07
    • 40218-96-0
    • NCGC00018102-04
    • SCHEMBL43440
    • D07971
    • 1-[bis(4-fluorophenyl)methyl]-4-cinnamyl- piperazine
    • 1-(bis(4-fluorophenyl)methyl)-4-((2E)-3-phenylprop-2-en-1-yl)piperazine
    • Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propenyl)-, (E)-
    • Narzine
    • 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
    • DTXCID4025616
    • 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
    • NCGC00024308-04
    • Flunarizine (INN)
    • CS-0013608
    • (Z)-Flunarizine
    • CCG-204617
    • AB00053586-15
    • HMS2089H21
    • Tox21_110825_1
    • NCGC00018102-05
    • Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)-, (E)-
    • A899896
    • Lopac0_000527
    • AB00053586_16
    • Tox21_110825
    • (E)-1-(BIS-(P-FLUOROPHENYL)METHYL)-4-CINNAMYLPIPERAZINE
    • CAS-52468-60-7
    • EINECS 254-842-0
    • AS-75845
    • NCGC00024308-05
    • AC-1283
    • GTPL12488
    • AKOS015960783
    • 1-[Bis-(4-fluoro-phenyl)-methyl]-4-(3-phenyl-allyl)-piperazine
    • SDCCGSBI-0050510.P004
    • Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propenyl)-
    • NCGC00018102-12
    • HMS1791D03
    • IDI1_033811
    • IDI1_000043
    • 1-[Bis-(4-fluoro-phenyl)-methyl]-4-((E)-3-phenyl-allyl)-piperazine
    • Flunarizina
    • Sibelium
    • HY-B0358
    • NCGC00018102-08
    • SMANXXCATUTDDT-QPJJXVBHSA-N
    • cid_6365505
    • NCGC00018102-24
    • NCGC00018102-09
    • CHEBI:92209
    • NCGC00018102-10
    • 1-[bis-(4-Fluorophenyl)methyl]-4-cinnamylpiperazine
    • R7PLA2DM0J
    • EINECS 257-937-5
    • HMS1361D03
    • NS00003460
    • BCBcMAP01_000120
    • 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
    • Flunarizine [INN:BAN]
    • Sibelium (TN)
    • D93478
    • HMS1989D03
    • Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenyl-2-propenyl]-
    • BPBio1_000336
    • FLUNARIZINE [INN]
    • BRD-K12184470-300-01-8
    • STL477617
    • BRD-K29582677-300-10-6
    • BRD-K29582677-300-09-8
    • GLXC-20231
    • BRD-K29582677-300-08-0
    • Flunarizin
    • MDL: MFCD00242731
    • Inchi: 1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
    • InChI Key: SMANXXCATUTDDT-QPJJXVBHSA-N
    • SMILES: FC1C=CC(=CC=1)C(C1C=CC(=CC=1)F)N1CCN(C/C=C/C2C=CC=CC=2)CC1

Computed Properties

  • Exact Mass: 404.20600
  • Monoisotopic Mass: 404.206405
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 6
  • Complexity: 487
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6
  • Topological Polar Surface Area: 6.5

Experimental Properties

  • Density: 1.17
  • Melting Point: [251.5]
  • Boiling Point: 511.3 °C at 760 mmHg
  • Flash Point: 511.3 °C at 760 mmHg
  • Refractive Index: 1.606
  • PSA: 6.48000
  • LogP: 5.26100

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1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:52468-60-7)Flunarizine in methanol
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Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:14
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1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine Related Literature

Additional information on 1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine

Introduction to 1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine (CAS No. 52468-60-7)

1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine, with the CAS number 52468-60-7, is a sophisticated organic compound that has garnered significant attention in the field of pharmaceutical research and development. This compound belongs to a class of molecules known for their potential biological activity, particularly in the realm of drug discovery. The unique structural features of this molecule, including its piperazine core and fluoro-substituted aromatic rings, make it a promising candidate for further investigation.

The chemical structure of 1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine consists of a piperazine ring substituted with two 4-fluorophenyl groups and an alkene chain terminated with a 3-phenylprop-2-enyl group. This arrangement contributes to its complex spatial configuration, which is likely to influence its interactions with biological targets. The presence of fluorine atoms in the aromatic rings is particularly noteworthy, as fluorine substitution can significantly alter the pharmacokinetic and pharmacodynamic properties of a molecule.

In recent years, there has been a growing interest in developing novel therapeutic agents that target specific biological pathways. The piperazine moiety is a well-known pharmacophore that is frequently incorporated into drugs due to its ability to interact with various biological receptors. The addition of fluoro-substituted aromatic rings to the piperazine core enhances the compound's potential for binding to specific targets, thereby increasing its therapeutic efficacy.

One of the most compelling aspects of 1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine is its structural similarity to several known bioactive compounds. This similarity suggests that it may exhibit similar pharmacological effects, making it a valuable scaffold for medicinal chemistry investigations. Researchers have been exploring its potential as an intermediate in the synthesis of more complex molecules designed to treat various diseases.

The synthesis of 1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine involves multiple steps, each requiring precise control over reaction conditions to ensure high yield and purity. The use of advanced synthetic techniques, such as transition metal-catalyzed reactions and fluorination methods, has been crucial in achieving the desired molecular structure. These synthetic strategies not only highlight the compound's complexity but also demonstrate the advancements in organic chemistry that have enabled the production of such intricate molecules.

The biological activity of this compound has been a focal point of recent research. Studies have shown that derivatives of piperazine with fluoro-substituted aromatic rings can exhibit potent effects on various biological systems. For instance, some analogs have demonstrated anti-inflammatory, antiviral, and anticancer properties in preclinical studies. While 1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine has not yet been tested in humans, these findings suggest that it could be a valuable starting point for developing new treatments.

The role of computational chemistry in studying this compound cannot be overstated. Molecular modeling techniques have been employed to predict how 1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine interacts with biological targets at the molecular level. These simulations provide insights into its binding affinity and mechanism of action, which are essential for optimizing its therapeutic potential. By combining experimental data with computational predictions, researchers can design more effective drug candidates more efficiently.

In conclusion, 1-bis(4-fluorophenyl)methyl-4-(2E)-3-phenylprop-2-en-1-ylpiperazine (CAS No. 52468-60- 7) represents a significant advancement in pharmaceutical research. Its unique structural features and potential biological activity make it a promising candidate for further development. As research continues to uncover new applications for this compound and its derivatives, it is likely to play an increasingly important role in the discovery and development of novel therapeutic agents.

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