Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

JRB

Summary
Name:2-PIPERAZIN-1-YL-ANILINE
Formula:C10 H15 N3
Formal charge:0
Formula weight:177.246 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(piperazin-1-yl)aniline
OpenEye OEToolkits1.7.62-piperazin-1-ylaniline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(c(ccc1)N2CCNCC2)N
InChIInChI1.03InChI=1S/C10H15N3/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8,11H2
InChIKeyInChI1.03TZWRXFPFRACRLO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccccc1N2CCNCC2
SMILESCACTVS3.385Nc1ccccc1N2CCNCC2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(c(c1)N)N2CCNCC2
SMILESOpenEye OEToolkits1.7.6c1ccc(c(c1)N)N2CCNCC2

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon