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5NR

Summary
Name:2-[4-(phenylmethyl)piperidin-1-yl]ethanamine
Formula:C14 H22 N2
Formal charge:0
Formula weight:218.338 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.42-[4-(phenylmethyl)piperidin-1-yl]ethanamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
InChIKeyInChI1.03PCNDXYHWLSHXMV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCCN1CCC(CC1)Cc2ccccc2
SMILESCACTVS3.385NCCN1CCC(CC1)Cc2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.4c1ccc(cc1)CC2CCN(CC2)CCN
SMILESOpenEye OEToolkits2.0.4c1ccc(cc1)CC2CCN(CC2)CCN

222624

PDB entries from 2024-07-17

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