1.0 2010-04-08 22:11:44 UTC 2015-07-20 23:16:03 UTC FDB015260 6-Deoxyfagomine Alkaloid from the roots of Lycium chinense (Chinese boxthorn) (-)-6-Deoxy-fagomine 6-Deoxy-fagomine 6-Deoxyfagomine C6H13NO2 131.1729 131.094628665 2-methylpiperidine-3,4-diol 2-methylpiperidine-3,4-diol 197449-09-5 CC1NCCC(O)C1O InChI=1S/C6H13NO2/c1-4-6(9)5(8)2-3-7-4/h4-9H,2-3H2,1H3 RMJCALHKIHCSMY-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 1,2-diols Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organopnictogen compounds Secondary alcohols 1,2-aminoalcohol 1,2-diol Alcohol Aliphatic heteromonocyclic compound Amine Azacycle Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperidine Secondary alcohol Secondary aliphatic amine Secondary amine logp -0.93 ALOGPS logs 0.62 ALOGPS solubility 5.42e+02 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 13.51 ChemAxon pka_strongest_basic 9.21 ChemAxon iupac 2-methylpiperidine-3,4-diol ChemAxon average_mass 131.1729 ChemAxon mono_mass 131.094628665 ChemAxon smiles CC1NCCC(O)C1O ChemAxon formula C6H13NO2 ChemAxon inchi InChI=1S/C6H13NO2/c1-4-6(9)5(8)2-3-7-4/h4-9H,2-3H2,1H3 ChemAxon inchikey RMJCALHKIHCSMY-UHFFFAOYSA-N ChemAxon polar_surface_area 52.49 ChemAxon refractivity 33.93 ChemAxon polarizability 14.09 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16052 Specdb::CMs 44846 Specdb::CMs 157905 Specdb::MsMs 60999 Specdb::MsMs 61000 Specdb::MsMs 61001 Specdb::MsMs 117450 Specdb::MsMs 117451 Specdb::MsMs 117452 Specdb::MsMs 2297824 Specdb::MsMs 2297825 Specdb::MsMs 2297826 Specdb::MsMs 2638333 Specdb::MsMs 2638334 Specdb::MsMs 2638335 Specdb::NmrOneD 136050 Specdb::NmrOneD 136051 Specdb::NmrOneD 136052 Specdb::NmrOneD 136053 Specdb::NmrOneD 136054 Specdb::NmrOneD 136055 Specdb::NmrOneD 136056 Specdb::NmrOneD 136057 Specdb::NmrOneD 136058 Specdb::NmrOneD 136059 Specdb::NmrOneD 136060 Specdb::NmrOneD 136061 Specdb::NmrOneD 136062 Specdb::NmrOneD 136063 Specdb::NmrOneD 136064 Specdb::NmrOneD 136065 Specdb::NmrOneD 136066 Specdb::NmrOneD 136067 Specdb::NmrOneD 136068 Specdb::NmrOneD 136069 HMDB36382 #<Reference:0x000055ce31694d58>