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结构：Fc1ccc(C(=C2CCNCC2)c2ccc(F)cc2)cc1
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 Ų
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 Ų [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
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂
HRID86501

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

作为反应物
HRID 86501 方程式

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

查看条件与参与物
HRID149325

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

作为反应物
HRID 149325 方程式

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

查看条件与参与物
HRID155471

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

作为反应物
HRID 155471 方程式

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

查看条件与参与物