1.0 2010-04-08 22:05:14 UTC 2020-02-24 19:10:25 UTC FDB002120 (S)-2-Propylpiperidine Alkaloid of Amorphophalus rivieri (devil's tongue). (S)-2-Propylpiperidine is found in pomegranate and black elderberry. (+)-Coniine (2S)-2-propylpiperidine (s)-(+)-conIIne (S)-2-Propylpiperidine (s)-beta-propylpiperidine α-conine 2-Propylpiperidine alpha-Conine Cicutin Cicutine ConIIn ConIIne Conine D-conicine C8H17N 127.2273 127.136099549 2-propylpiperidine 2-propylpiperidine 458-88-8 CCCC1CCCCN1 InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3 NDNUANOUGZGEPO-UHFFFAOYSA-N belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Alkaloids and derivatives Organic compounds Alkaloids and derivatives Aliphatic heteromonocyclic compounds Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organopnictogen compounds Piperidines Aliphatic heteromonocyclic compound Alkaloid or derivatives Amine Azacycle Hydrocarbon derivative Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Piperidine Secondary aliphatic amine Secondary amine Liquid logp 2.50 ALOGPS logs -1.51 ALOGPS solubility 3.96e+00 g/l ALOGPS melting_point Mp -2° logp 2.04 ChemAxon pka_strongest_basic 10.58 ChemAxon iupac 2-propylpiperidine ChemAxon average_mass 127.2273 ChemAxon mono_mass 127.136099549 ChemAxon smiles CCCC1CCCCN1 ChemAxon formula C8H17N ChemAxon inchi InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3 ChemAxon inchikey NDNUANOUGZGEPO-UHFFFAOYSA-N ChemAxon polar_surface_area 12.03 ChemAxon refractivity 40.38 ChemAxon polarizability 16.57 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3854 Specdb::MsIr 3855 Specdb::MsIr 3856 Specdb::CMs 14152 Specdb::CMs 158780 Specdb::NmrOneD 161069 Specdb::NmrOneD 161070 Specdb::NmrOneD 161071 Specdb::NmrOneD 161072 Specdb::NmrOneD 161073 Specdb::NmrOneD 161074 Specdb::NmrOneD 161075 Specdb::NmrOneD 161076 Specdb::NmrOneD 161077 Specdb::NmrOneD 161078 Specdb::NmrOneD 161079 Specdb::NmrOneD 161080 Specdb::NmrOneD 161081 Specdb::NmrOneD 161082 Specdb::NmrOneD 161083 Specdb::NmrOneD 161084 Specdb::NmrOneD 161085 Specdb::NmrOneD 161086 Specdb::NmrOneD 161087 Specdb::NmrOneD 161088 Specdb::MsMs 43584 Specdb::MsMs 43585 Specdb::MsMs 43586 Specdb::MsMs 152520 Specdb::MsMs 152521 Specdb::MsMs 152522 Specdb::MsMs 2237961 Specdb::MsMs 2239627 Specdb::MsMs 2240933 Specdb::MsMs 2244149 Specdb::MsMs 2245962 Specdb::MsMs 2246295 Specdb::MsMs 2247969 Specdb::MsMs 2248422 Specdb::MsMs 2250386 Specdb::MsMs 2251987 Specdb::MsMs 2671365 Specdb::MsMs 2671366 Specdb::MsMs 2671367 Specdb::MsMs 3011247 Specdb::MsMs 3011248 Specdb::MsMs 3011249 HMDB30285 28322 #<Reference:0x0000561272e67848> Black elderberry Type 1 specific Sambucus nigra 4202 Pomegranate Type 1 specific Punica granatum 22663 emetic 899 paralytic 1196