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

JJ7

Summary
Name:1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one
Formula:C10 H20 N2 O2
Formal charge:0
Formula weight:200.278 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one
OpenEye OEToolkits2.0.61-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(N1CCC(CC1)NCCOC)=O
InChIInChI1.03InChI=1S/C10H20N2O2/c1-9(13)12-6-3-10(4-7-12)11-5-8-14-2/h10-11H,3-8H2,1-2H3
InChIKeyInChI1.03RMJGIXARLGOLGM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COCCNC1CCN(CC1)C(C)=O
SMILESCACTVS3.385COCCNC1CCN(CC1)C(C)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(=O)N1CCC(CC1)NCCOC
SMILESOpenEye OEToolkits2.0.6CC(=O)N1CCC(CC1)NCCOC

226707

PDB entries from 2024-10-30

PDB statisticsPDBj update infoContact PDBjnumon