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XF5

Summary
Name:4-(PIPERAZIN-1-YL)-1H-INDOLE
Formula:C12 H15 N3
Formal charge:0
Formula weight:201.268 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(piperazin-1-yl)-1H-indole
OpenEye OEToolkits1.9.24-piperazin-1-yl-1H-indole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2c1c(cccc1nc2)N3CCNCC3
InChIInChI1.03InChI=1S/C12H15N3/c1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2
InChIKeyInChI1.03YZKSXUIOKWQABW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C1CN(CCN1)c2cccc3[nH]ccc23
SMILESCACTVS3.385C1CN(CCN1)c2cccc3[nH]ccc23
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc2c(cc[nH]2)c(c1)N3CCNCC3
SMILESOpenEye OEToolkits1.9.2c1cc2c(cc[nH]2)c(c1)N3CCNCC3

224201

PDB entries from 2024-08-28

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