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91B

Summary
Name:1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE
Synonyms:FRAGMENT CC35913
Formula:C12 H19 N3
Formal charge:0
Formula weight:205.299 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[3-(4-methylpiperazin-1-yl)phenyl]methanamine
OpenEye OEToolkits1.9.2[3-(4-methylpiperazin-1-yl)phenyl]methanamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2c(N1CCN(C)CC1)cc(cc2)CN
InChIInChI1.03InChI=1S/C12H19N3/c1-14-5-7-15(8-6-14)12-4-2-3-11(9-12)10-13/h2-4,9H,5-8,10,13H2,1H3
InChIKeyInChI1.03VKTLTRIKVYJVOX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1CCN(CC1)c2cccc(CN)c2
SMILESCACTVS3.385CN1CCN(CC1)c2cccc(CN)c2
SMILES_CANONICALOpenEye OEToolkits1.9.2CN1CCN(CC1)c2cccc(c2)CN
SMILESOpenEye OEToolkits1.9.2CN1CCN(CC1)c2cccc(c2)CN

217705

PDB entries from 2024-03-27

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