1-Bis(4-fluorophenyl)methyl piperazine - ≥97% , CAS No.27469-60-9

CAS: 27469-60-9 Cat. No.: B107230 Molecular Weight: 288.34 Beilstein Registry Number: 620754 EC Number: 248-476-0

GRADE & PURITY ≥97%

Synonyms

AKOS000122871 | AC-2053 | 1-Bis(4-fluorophenyl)methylpiperazine | SY020905 | 1-Bis(4-fluorophenyl)methyl piperazine, 97% | CAS-27469-60-9 | DTXSID8057699 | [bis-(4-fluorophenyl)-methyl]-piperazine | [bis(4-fluorophenyl)methyl]piperazine | 1-(Bis(4-fluorop

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS000122871 | AC-2053 | 1-Bis(4-fluorophenyl)methylpiperazine | SY020905 | 1-Bis(4-fluorophenyl)methyl piperazine, 97% | CAS-27469-60-9 | DTXSID8057699 | [bis-(4-fluorophenyl)-methyl]-piperazine | [bis(4-fluorophenyl)methyl]piperazine | 1-(Bis(4-fluorop

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488188255
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188255
• Canonical Smiles: C1CN(CCN1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
• IUPAC Name: 1-[bis(4-fluorophenyl)methyl]piperazine
• InChIKey: TTXIFFYPVGWLSE-UHFFFAOYSA-N
• INCHI: 1S/C17H18F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2
• Isomeric SMILES: C1CN(CCN1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
• WGK Germany: 3
• Molecular Weight: 288.34
• Beilstein: 620754
• Reaxy-Rn: 620754
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=620754&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: N-alkylpiperazines Fluorobenzenes Aralkylamines Aryl fluorides Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol,Toluene
• Boil Point(°C): 130°C
• Melt Point(°C): 93°C
• Molecular Weight: 288.330 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 288.144 Da
• Monoisotopic Mass: 288.144 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 282.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Dan-dan Yang, Riu Wang, Jin-long Zhu, Qi-yue Cao, Jie Qin, Hai-liang Zhu, Shao-song Qian.  (2016)  Synthesis, crystal structures, molecular docking, in vitro monoamine oxidase-B inhibitory activity of transition metal complexes with 2-{4-[bis (4-fluorophenyl)methyl]piperazin-1-yl} acetic acid.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2016.08.037]

2. Xianzhao Wang, Han He, Chen Jia, Hongpei Ji, Xixi Xie, Bingqian Zhang, Pengyang Wang, Shuping Pang, Ying Zhao, Xiaodan Zhang.  (2025)  Dual Vapor-Phase Treatment Driven Subsurface Reorganization for 3D Passivation Networks toward Ultralow Interfacial Energy Loss in Perovskite Photovoltaics.  Advanced Energy Materials,      [PMID:] [10.1002/aenm.202504299]