1.0 2019-09-16 21:23:03 UTC 2019-11-26 03:24:13 UTC FDB093552 3-epi-Fagomine C6H13NO3 147.174 147.089543283 (2R,3R,4S)-2-(hydroxymethyl)piperidine-3,4-diol (2R,3R,4S)-2-(hydroxymethyl)piperidine-3,4-diol OC[C@H]1NCC[C@H](O)[C@@H]1O InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5+,6-/m1/s1 YZNNBIPIQWYLDM-NGJCXOISSA-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 Primary alcohols 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 Piperidine Primary alcohol Secondary alcohol Secondary aliphatic amine Secondary amine logp -1.55 ALOGPS logs 0.59 ALOGPS solubility 5.73e+02 g/l ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 13.43 ChemAxon pka_strongest_basic 8.63 ChemAxon iupac (2R,3R,4S)-2-(hydroxymethyl)piperidine-3,4-diol ChemAxon average_mass 147.174 ChemAxon mono_mass 147.089543283 ChemAxon smiles OC[C@H]1NCC[C@H](O)[C@@H]1O ChemAxon formula C6H13NO3 ChemAxon inchi InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5+,6-/m1/s1 ChemAxon inchikey YZNNBIPIQWYLDM-NGJCXOISSA-N ChemAxon polar_surface_area 72.72 ChemAxon refractivity 35.48 ChemAxon polarizability 14.86 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1237849 Specdb::MsMs 1237850 Specdb::MsMs 1237851 Specdb::MsMs 1353301 Specdb::MsMs 1353302 Specdb::MsMs 1353303 Specdb::MsMs 3609361 Specdb::MsMs 3609362 Specdb::MsMs 3609363 Specdb::MsMs 3609364 Specdb::MsMs 3609365 Specdb::MsMs 3609366 Castanospermum australe Type 1 Castanospermum australe