About tert-butyl (3R)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 3,4-dihydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-hydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate
tert-butyl (3R)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 3,4-dihydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-hydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate (PubChem CID 157461603) has the molecular formula C143H194Cl4F4N12O27
and a molecular weight of 2730.99 g/mol. Its IUPAC name is tert-butyl (3R)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 3,4-dihydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-hydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate.
Frequently Asked Questions
What is the IUPAC name of tert-butyl (3R)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 3,4-dihydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-hydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of tert-butyl (3R)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 3,4-dihydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-hydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate (CID 157461603) is tert-butyl (3R)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 3,4-dihydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-hydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for tert-butyl (3R)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 3,4-dihydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-hydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for tert-butyl (3R)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 3,4-dihydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-hydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)O[C@H]1CNCC=C1c1ccc(F)c(Cl)c1.CC(C)(C)OC(=O)N1CC=C(c2ccc(F)c(Cl)c2)[C@@H](OC(=O)C(C)(C)C)C1.CC(C)(C)OC(=O)N1CC[C@](O)(c2ccc(F)c(Cl)c2)[C@@H](OC(=O)C(C)(C)C)C1.Cc1cccc(C2(O)CCN(C(=O)OC(C)(C)C)CC2O)n1.Cc1cccc(C2(O)CCN(C(=O)OC(C)(C)C)CC2OC(=O)C(C)(C)C)n1.Cc1cccc(C2=CCN(C(=O)OC(C)(C)C)CC2)n1.Cc1cccc(C2=CCN(C(=O)OC(C)(C)C)CC2OC(=O)C(C)(C)C)n1.O[C@H]1CNCC=C1c1ccc(F)c(Cl)c1.
What is the InChIKey of tert-butyl (3R)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 3,4-dihydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-hydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate?
The InChIKey is BTZLCHADNSDXTP-ZDAIAPKSSA-N. The full InChI is InChI=1S/C21H29ClFNO5.C21H27ClFNO4.C21H32N2O5.C21H30N2O4.C16H19ClFNO2.C16H24N2O4.C16H22N2O2.C11H11ClFNO/c1-19(2,3)17(25)28-16-12-24(18(26)29-20(4,5)6)10-9-21(16,27)13-7-8-15(23)14(22)11-13;1-20(2,3)18(25)27-17-12-24(19(26)28-21(4,5)6)10-9-14(17)13-7-8-16(23)15(22)11-13;1-14-9-8-10-15(22-14)21(26)11-12-23(18(25)28-20(5,6)7)13-16(21)27-17(24)19(2,3)4;1-14-9-8-10-16(22-14)15-11-12-23(19(25)27-21(5,6)7)13-17(15)26-18(24)20(2,3)4;1-16(2,3)15(20)21-14-9-19-7-6-11(14)10-4-5-13(18)12(17)8-10;1-11-6-5-7-12(17-11)16(21)8-9-18(10-13(16)19)14(20)22-15(2,3)4;1-12-6-5-7-14(17-12)13-8-10-18(11-9-13)15(19)20-16(2,3)4;12-9-5-7(1-2-10(9)13)8-3-4-14-6-11(8)15/h7-8,11,16,27H,9-10,12H2,1-6H3;7-9,11,17H,10,12H2,1-6H3;8-10,16,26H,11-13H2,1-7H3;8-11,17H,12-13H2,1-7H3;4-6,8,14,19H,7,9H2,1-3H3;5-7,13,19,21H,8-10H2,1-4H3;5-8H,9-11H2,1-4H3;1-3,5,11,14-15H,4,6H2/t16-,21-;17-;;;14-;;;11-/m00..0..0/s1.
What are the key properties of tert-butyl (3R)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 3,4-dihydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-hydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate?
tert-butyl (3R)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 3,4-dihydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-hydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate has a molecular weight of 2730.99 g/mol, XLogP of 26.74, 13 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 3,4-dihydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-hydroxy-4-(6-methyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropanoyloxy)-4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(3-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 157461603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).