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A1BUT

Summary
Name:methyl (2R)-1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
Formula:C15 H19 N O4
Formal charge:0
Formula weight:277.316 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52methyl (2R)-1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
OpenEye OEToolkits3.1.0.0methyl (2~{R})-1-[4-(hydroxymethyl)phenyl]carbonylpiperidine-2-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(c1ccc(CO)cc1)N1CCCCC1C(=O)OC
InChIInChI1.06InChI=1S/C15H19NO4/c1-20-15(19)13-4-2-3-9-16(13)14(18)12-7-5-11(10-17)6-8-12/h5-8,13,17H,2-4,9-10H2,1H3/t13-/m1/s1
InChIKeyInChI1.06ORTMTMCIWFVMDT-CYBMUJFWSA-N
SMILES_CANONICALCACTVS3.385COC(=O)[C@H]1CCCCN1C(=O)c2ccc(CO)cc2
SMILESCACTVS3.385COC(=O)[CH]1CCCCN1C(=O)c2ccc(CO)cc2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COC(=O)[C@H]1CCCCN1C(=O)c2ccc(cc2)CO
SMILESOpenEye OEToolkits3.1.0.0COC(=O)C1CCCCN1C(=O)c2ccc(cc2)CO

250835

PDB entries from 2026-03-18

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