2.0 2015-09-08 17:48:40 -0600 2015-09-08 17:48:40 -0600 ECMDB24041 M2MDB006158 3-Amino-2-piperidone C5H10N2O 114.1457 114.079312952 3-aminopiperidin-2-one 3-amino-2-piperidone NC1CCCNC1=O InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8) YCCMTCQQDULIFE-UHFFFAOYSA-N logp -1.34 ALOGPS logs 0.59 ALOGPS solubility 4.44e+02 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 14.55 ChemAxon pka_strongest_basic 8.44 ChemAxon iupac 3-aminopiperidin-2-one ChemAxon average_mass 114.1457 ChemAxon mono_mass 114.079312952 ChemAxon smiles NC1CCCNC1=O ChemAxon formula C5H10N2O ChemAxon inchi InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8) ChemAxon inchikey YCCMTCQQDULIFE-UHFFFAOYSA-N ChemAxon polar_surface_area 55.12 ChemAxon refractivity 30.01 ChemAxon polarizability 11.83 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1153 Specdb::CMs 13635 Specdb::CMs 31126 Specdb::CMs 146632 Specdb::NmrOneD 6602 Specdb::NmrOneD 6603 Specdb::NmrOneD 6604 Specdb::NmrOneD 6605 Specdb::NmrOneD 6606 Specdb::NmrOneD 6607 Specdb::NmrOneD 6608 Specdb::NmrOneD 6609 Specdb::NmrOneD 6610 Specdb::NmrOneD 6611 Specdb::NmrOneD 6612 Specdb::NmrOneD 6613 Specdb::NmrOneD 6614 Specdb::NmrOneD 6615 Specdb::NmrOneD 6616 Specdb::NmrOneD 6617 Specdb::NmrOneD 6618 Specdb::NmrOneD 6619 Specdb::NmrOneD 6620 Specdb::NmrOneD 6621 Specdb::MsMs 26453 Specdb::MsMs 26454 Specdb::MsMs 26455 Specdb::MsMs 33011 Specdb::MsMs 33012 Specdb::MsMs 33013 Specdb::MsMs 2368170 Specdb::MsMs 2368171 Specdb::MsMs 2368172 Specdb::MsMs 2567540 Specdb::MsMs 2567541 Specdb::MsMs 2567542