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1VZ

Summary
Name:4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine
Formula:C21 H33 N3
Formal charge:0
Formula weight:327.507 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine
OpenEye OEToolkits1.7.64-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N4(c1ccc(cc1)CCN2CCCC2)CCC(N3CCCC3)CC4
InChIInChI1.03InChI=1S/C21H33N3/c1-2-13-22(12-1)16-9-19-5-7-20(8-6-19)24-17-10-21(11-18-24)23-14-3-4-15-23/h5-8,21H,1-4,9-18H2
InChIKeyInChI1.03JPTZZWFKOIEDMU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C1CCN(C1)CCc2ccc(cc2)N3CCC(CC3)N4CCCC4
SMILESCACTVS3.385C1CCN(C1)CCc2ccc(cc2)N3CCC(CC3)N4CCCC4
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1CCN2CCCC2)N3CCC(CC3)N4CCCC4
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1CCN2CCCC2)N3CCC(CC3)N4CCCC4

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PDB entries from 2024-08-07

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