1.0 2010-04-08 22:10:35 UTC 2025-11-18 23:42:18 UTC FDB013213 Thalictroidine Alkaloid from the rhizomes of Caulophyllum thalictroides (blue cohosh). Thalictroidine is found in coffee and coffee products. 4'-Hydroxy-2-(1-methylpiperidin-2-yl)acetophenone Thalictroidine C14H19NO2 233.3062 233.141578857 1-(4-hydroxyphenyl)-2-(1-methylpiperidin-2-yl)ethan-1-one 1-(4-hydroxyphenyl)-2-(1-methylpiperidin-2-yl)ethanone 248259-06-5 CN1CCCCC1CC(=O)C1=CC=C(O)C=C1 InChI=1S/C14H19NO2/c1-15-9-3-2-4-12(15)10-14(17)11-5-7-13(16)8-6-11/h5-8,12,16H,2-4,9-10H2,1H3 DZUIOQIFAIDHJH-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Aryl alkyl ketones Azacyclic compounds Benzoyl derivatives Beta-amino ketones Hydrocarbon derivatives Organic oxides Organopnictogen compounds Piperidines Trialkylamines 1-hydroxy-2-unsubstituted benzenoid Alkyl-phenylketone Amine Aromatic heteromonocyclic compound Aryl alkyl ketone Azacycle Benzenoid Benzoyl Beta-aminoketone Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Phenol Piperidine Tertiary aliphatic amine Tertiary amine logp 1.79 ALOGPS logs -1.76 ALOGPS solubility 4.03e+00 g/l ALOGPS logp 1.31 ChemAxon pka_strongest_acidic 7.5 ChemAxon pka_strongest_basic 8.65 ChemAxon iupac 1-(4-hydroxyphenyl)-2-(1-methylpiperidin-2-yl)ethan-1-one ChemAxon average_mass 233.3062 ChemAxon mono_mass 233.141578857 ChemAxon smiles CN1CCCCC1CC(=O)C1=CC=C(O)C=C1 ChemAxon formula C14H19NO2 ChemAxon inchi InChI=1S/C14H19NO2/c1-15-9-3-2-4-12(15)10-14(17)11-5-7-13(16)8-6-11/h5-8,12,16H,2-4,9-10H2,1H3 ChemAxon inchikey DZUIOQIFAIDHJH-UHFFFAOYSA-N ChemAxon polar_surface_area 40.54 ChemAxon refractivity 68.38 ChemAxon polarizability 26.14 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18090 Specdb::CMs 43995 Specdb::CMs 131653 Specdb::CMs 139387 Specdb::MsMs 82005 Specdb::MsMs 82006 Specdb::MsMs 82007 Specdb::MsMs 143253 Specdb::MsMs 143254 Specdb::MsMs 143255 Specdb::MsMs 2690954 Specdb::MsMs 2690955 Specdb::MsMs 2690956 Specdb::MsMs 2988560 Specdb::MsMs 2988561 Specdb::MsMs 2988562 Specdb::NmrOneD 127238 Specdb::NmrOneD 127239 Specdb::NmrOneD 127240 Specdb::NmrOneD 127241 Specdb::NmrOneD 127242 Specdb::NmrOneD 127243 Specdb::NmrOneD 127244 Specdb::NmrOneD 127245 Specdb::NmrOneD 127246 Specdb::NmrOneD 127247 Specdb::NmrOneD 127248 Specdb::NmrOneD 127249 Specdb::NmrOneD 127250 Specdb::NmrOneD 127251 Specdb::NmrOneD 127252 Specdb::NmrOneD 127253 Specdb::NmrOneD 127254 Specdb::NmrOneD 127255 Specdb::NmrOneD 127256 Specdb::NmrOneD 127257 HMDB34684 #<Reference:0x000055ce31a527b0> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390