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G27

Summary
Name:(3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL
Formula:C15 H23 N O3
Formal charge:0
Formula weight:265.348 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3R,4R,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol
OpenEye OEToolkits1.5.0(1R,3R,4R,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OCC2CN(CCCc1ccccc1)CC(O)C2O
SMILES_CANONICALCACTVS3.341OC[C@H]1CN(CCCc2ccccc2)C[C@@H](O)[C@@H]1O
SMILESCACTVS3.341OC[CH]1CN(CCCc2ccccc2)C[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CCC[N@@]2C[C@@H]([C@H]([C@@H](C2)O)O)CO
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CCCN2CC(C(C(C2)O)O)CO
InChIInChI1.03InChI=1S/C15H23NO3/c17-11-13-9-16(10-14(18)15(13)19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15,17-19H,4,7-11H2/t13-,14-,15-/m1/s1
InChIKeyInChI1.03NKARZGURZMIRMA-RBSFLKMASA-N

239149

PDB entries from 2025-07-23

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