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A1AOE

Summary
Name:(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
Formula:C15 H21 F3 N2 O2
Formal charge:0
Formula weight:318.335 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
OpenEye OEToolkits2.0.7(2~{R})-1-(4-azanylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(CN1CCC(N)CC1)COc1cc(ccc1)C(F)(F)F
InChIInChI1.06InChI=1S/C15H21F3N2O2/c16-15(17,18)11-2-1-3-14(8-11)22-10-13(21)9-20-6-4-12(19)5-7-20/h1-3,8,12-13,21H,4-7,9-10,19H2/t13-/m1/s1
InChIKeyInChI1.06ADGXNJWEGDDFPZ-CYBMUJFWSA-N
SMILES_CANONICALCACTVS3.385NC1CCN(CC1)C[C@@H](O)COc2cccc(c2)C(F)(F)F
SMILESCACTVS3.385NC1CCN(CC1)C[CH](O)COc2cccc(c2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)OC[C@@H](CN2CCC(CC2)N)O)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)OCC(CN2CCC(CC2)N)O)C(F)(F)F

220472

PDB entries from 2024-05-29

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