1.0 2010-04-08 22:09:40 UTC 2025-11-18 23:28:18 UTC FDB011491 Fagomine Alkaloid from buckwheat seeds (Fagopyrum esculentum). Fagomine is found in common buckwheat and cereals and cereal products. 1,2,5-Trideoxy-1,5-imino-D-arabino-hexitol 3,4-Piperidinediol, 2-(hydroxymethyl)-, (2R,3R,4R)- D-arabino-Hexitol, 1,2,5-trideoxy-1,5-imino- FAG Fagomine C6H13NO3 147.1723 147.089543287 (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol fagomine 53185-12-9 OCC1NCCC(O)C1O InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2 YZNNBIPIQWYLDM-UHFFFAOYSA-N belongs to the class of organic compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. Piperidines Organic compounds Organoheterocyclic compounds Piperidines Aliphatic heteromonocyclic compounds 1,2-aminoalcohols Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Secondary alcohols 1,2-aminoalcohol Alcohol Aliphatic heteromonocyclic compound Amine Azacycle Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperidine Primary alcohol Secondary alcohol Secondary aliphatic amine Secondary amine Piperidine alkaloids piperidines logp -1.55 ALOGPS logs 0.59 ALOGPS solubility 5.73e+02 g/l ALOGPS melting_point Mp 186-188° logp -2.2 ChemAxon pka_strongest_acidic 13.43 ChemAxon pka_strongest_basic 8.63 ChemAxon iupac (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol ChemAxon average_mass 147.1723 ChemAxon mono_mass 147.089543287 ChemAxon smiles OCC1NCCC(O)C1O ChemAxon formula C6H13NO3 ChemAxon inchi InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2 ChemAxon inchikey YZNNBIPIQWYLDM-UHFFFAOYSA-N ChemAxon polar_surface_area 72.72 ChemAxon refractivity 35.48 ChemAxon polarizability 15.06 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6093 Specdb::MsIr 6094 Specdb::MsIr 6095 Specdb::CMs 6008 Specdb::CMs 164316 Specdb::MsMs 241546 Specdb::MsMs 241547 Specdb::MsMs 241548 Specdb::MsMs 243601 Specdb::MsMs 243602 Specdb::MsMs 243603 Specdb::MsMs 2780278 Specdb::MsMs 2780279 Specdb::MsMs 2780280 Specdb::MsMs 2925550 Specdb::MsMs 2925551 Specdb::MsMs 2925552 Specdb::NmrOneD 119978 Specdb::NmrOneD 119979 Specdb::NmrOneD 119980 Specdb::NmrOneD 119981 Specdb::NmrOneD 119982 Specdb::NmrOneD 119983 Specdb::NmrOneD 119984 Specdb::NmrOneD 119985 Specdb::NmrOneD 119986 Specdb::NmrOneD 119987 Specdb::NmrOneD 119988 Specdb::NmrOneD 119989 Specdb::NmrOneD 119990 Specdb::NmrOneD 119991 Specdb::NmrOneD 119992 Specdb::NmrOneD 119993 Specdb::NmrOneD 119994 Specdb::NmrOneD 119995 Specdb::NmrOneD 119996 Specdb::NmrOneD 119997 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Common buckwheat Type 1 specific Fagopyrum esculentum 3617