4158 -OEChem-10051719143D 36 37 0 1 0 0 0 0 0999 V2000 0.2042 -2.1333 0.9271 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1037 -2.7833 -1.2609 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 1.6427 -0.3159 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2425 0.2183 0.0339 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5386 -0.5031 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -0.4113 -0.6720 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7572 0.1638 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7666 1.6585 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 2.3066 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2688 0.2663 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0026 -1.9122 -0.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 0.7493 0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2536 0.3781 -1.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6376 1.3708 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4563 0.9995 -0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6483 1.4958 0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2932 -3.5068 1.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1596 0.1181 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5234 -1.5509 -0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6558 -0.5040 -1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1887 -0.3014 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7372 0.0096 1.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6763 -0.3004 -0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9644 1.8142 -1.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5822 2.1416 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4173 1.7366 -1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4476 3.3617 0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2936 2.2862 1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6947 0.6496 1.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1138 -0.0075 -2.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7907 1.7511 2.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2437 1.0961 -1.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5855 1.9781 0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 -3.9885 0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6404 -4.0278 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 -3.5413 2.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 M END > DB00422 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DUGOZIWVEXMGBE-UHFFFAOYSA-N/SDF?record_type=3d > COC(=O)C(C1CCCCN1)C1=CC=CC=C1 > InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3 > DUGOZIWVEXMGBE-UHFFFAOYSA-N > C14H19NO2 > 233.3062 > 233.141578857 > 2 > 36 > 0.9919155984854046 > 25.91177347809127 > 1 > 1 > 0 > 1 > methyl 2-phenyl-2-(piperidin-2-yl)acetate > 1.47 > 2.254935081666666 > -3.11 > 0 > 1 > 2 > 1 > 9.088826845099911 > 38.33 > 66.72820000000002 > 4 > 1 > 1.82e-01 g/l > tetrahydrofolic acid > 1 $$$$