Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate 2-(1-苄基哌啶-4-亚基)-2-氰基乙酸乙酯

CAS 1463-52-1 MFCD01569592

化学结构图

1463-52-1
SMILES: CCOC(=O)C(C#N)=C1CCN(Cc2ccccc2)CC1

化学属性

Mol. FormulaC17H20N2O2
Mol. Weight284.35
Melting Point64-67 °C
Boiling Point430.4±35.0 °C at 760 mmHg

别名和识别编码

Chemical NameEthyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate
CAS Number1463-52-1
Alfabeta NameETHYLBENZYLPIPERIDINYLIDENECYANOACETATE 2142()------
MDL NumberMFCD01569592
Chemical Name Translation2-(1-苄基哌啶-4-亚基)-2-氰基乙酸乙酯
LabNetwork Molecule IDLN00146166
PubChem Substance ID424752
InChIInChI=1S/C17H20N2O2/c1-2-21-17(20)16(12-18)15-8-10-19(11-9-15)13-14-6-4-3-5-7-14/h3-7H,2,8-11,13H2,1H3
Synonym Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate {LY} Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate {} {LY} Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate {} {} {LY} Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate {} {} {} {LY} Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate {} {} {} {} {LY} Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate {} {} {} {} {} {LY} Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate {} {} {} {} {} {} {LY} Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate {} {} {} {} {} {} {} {LY} Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate {} {} {} {} {} {} {} {} {LY} Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate {} {} {} {} {} {} {} {} {} {} {}
Canonical SMILESCCOC(=O)C(=C1CCN(CC1)CC2=CC=CC=C2)C#N
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分类

  • {KO} Nitriles
  • {KO} Esters

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Donors
0
H-bond Acceptors
4
Rotatable Bonds
6
LogP
2

系列性分类

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