1.0 2010-04-08 22:05:16 UTC 2020-02-24 19:10:26 UTC FDB002167 (R)-Pelletierine Alkaloid from pomegranate. (R)-Pelletierine is found in fruits and pomegranate. (-)-Pelletierine (R)-(-)-Pelletierine (R)-1-(2-Piperidyl)acetone Pelletierine, (R)-(-)- C8H15NO 141.2108 141.115364107 1-[(2R)-piperidin-2-yl]propan-2-one 1-[(2R)-piperidin-2-yl]propan-2-one 2858-66-4 CC(=O)C[C@H]1CCCCN1 InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3/t8-/m1/s1 JEIZLWNUBXHADF-MRVPVSSYSA-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 Azacyclic compounds Beta-amino ketones Dialkylamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Aliphatic heteromonocyclic compound Amine Azacycle Beta-aminoketone Carbonyl group Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperidine Secondary aliphatic amine Secondary amine logp 0.68 ALOGPS logs -0.87 ALOGPS solubility 1.90e+01 g/l ALOGPS logp 0.76 ChemAxon pka_strongest_acidic 18.51 ChemAxon pka_strongest_basic 9.86 ChemAxon iupac 1-[(2R)-piperidin-2-yl]propan-2-one ChemAxon average_mass 141.2108 ChemAxon mono_mass 141.115364107 ChemAxon smiles CC(=O)C[C@H]1CCCCN1 ChemAxon formula C8H15NO ChemAxon inchi InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3/t8-/m1/s1 ChemAxon inchikey JEIZLWNUBXHADF-MRVPVSSYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 40.84 ChemAxon polarizability 16.46 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 17102 Specdb::NmrOneD 17103 Specdb::NmrOneD 17104 Specdb::NmrOneD 17105 Specdb::NmrOneD 17106 Specdb::NmrOneD 17107 Specdb::NmrOneD 17108 Specdb::NmrOneD 17109 Specdb::NmrOneD 17110 Specdb::NmrOneD 17111 Specdb::NmrOneD 17112 Specdb::NmrOneD 17113 Specdb::NmrOneD 17114 Specdb::NmrOneD 17115 Specdb::NmrOneD 17116 Specdb::NmrOneD 17117 Specdb::NmrOneD 17118 Specdb::NmrOneD 17119 Specdb::NmrOneD 17120 Specdb::NmrOneD 17121 Specdb::MsIr 3860 Specdb::MsIr 3861 Specdb::MsIr 3862 Specdb::CMs 5725 Specdb::CMs 170718 Specdb::MsMs 56931 Specdb::MsMs 56932 Specdb::MsMs 56933 Specdb::MsMs 112467 Specdb::MsMs 112468 Specdb::MsMs 112469 Specdb::MsMs 2319317 Specdb::MsMs 2319318 Specdb::MsMs 2319319 Specdb::MsMs 2619632 Specdb::MsMs 2619633 Specdb::MsMs 2619634 HMDB30324 #<Reference:0x000055ce32736350> Fruits Unknown generic Pomegranate Type 1 specific Punica granatum 22663