HCID2724436

4-(Bis(4-fluorophenyl)methylene)piperidine

4-[bis(4-fluorophenyl)methylidene]piperidine

C18H17F2N285.3 g/molCAS 58113-36-3

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IDENTITY

结构与身份

标准SMILES: Fc1ccc(C(=C2CCNCC2)c2ccc(F)cc2)cc1
InChIKey: KNNQGZBGAQFPCY-UHFFFAOYSA-N
分子式: C18H17F2N
平均分子量: 285.3 g/mol
单同位素质量: 285.13290587

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 12 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 21
形式电荷: 0
复杂度: 331

PROPERTIES

实验与物化性质

来源：PubChem

Collision Cross Section

173.11 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

ALIASES

名称与别名

共 25 条

4-(Bis(4-fluorophenyl)methylene)piperidine58113-36-34-[bis(4-fluorophenyl)methylidene]piperidineMFCD131927254-[bis(4-fluorophenyl)methylene]piperidineC18H17F2N4-(bis(4-fluorophenyl)-methylene)piperidine4-[bis(4-fluorophenyl)-methylene]piperidineMFCD24369742Piperidine, 4-[bis(4-fluorophenyl)methylene]-RITANSERIN_met013SCHEMBL2539292SCHEMBL5200726DTXSID10369130KNNQGZBGAQFPCY-UHFFFAOYSA-NAKOS016011302DS-6244SB43201SY2408914-[bis(4-flurophenyl)methylene]piperidine

REACTIONS

参与反应

35 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-1995_11 · 10.6084/m9.figshare.5104873.v1 · US05470851

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-1985_08 · 10.6084/m9.figshare.5104873.v1 · US04533665

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uspto-grants-1985_08 · 10.6084/m9.figshare.5104873.v1 · US04533665

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uspto-grants-1985_08 · 10.6084/m9.figshare.5104873.v1 · US04533665

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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