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QEL

Summary
Name:4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
Synonyms:Ifenprodil
Formula:C21 H27 N O2
Formal charge:0
Formula weight:325.445 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
OpenEye OEToolkits1.7.04-[(2S)-1-hydroxy-2-[4-(phenylmethyl)piperidin-1-yl]propyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(c1ccc(O)cc1)C(N2CCC(CC2)Cc3ccccc3)C
SMILES_CANONICALCACTVS3.370C[C@@H]([C@H](O)c1ccc(O)cc1)N2CC[C@@H](CC2)Cc3ccccc3
SMILESCACTVS3.370C[CH]([CH](O)c1ccc(O)cc1)N2CC[CH](CC2)Cc3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.0C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3
SMILESOpenEye OEToolkits1.7.0CC(C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3
InChIInChI1.03InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1
InChIKeyInChI1.03UYNVMODNBIQBMV-KKSFZXQISA-N

221716

PDB entries from 2024-06-26

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