C136H207F14N23O2 — CID 158885001
tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine (PubChem CID 158885001) has the molecular formula C136H207F14N23O2 and a molecular weight of 2462.28 g/mol. Its IUPAC name is tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine.
| Compound Name | tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine |
|---|---|
| PubChem CID | 158885001 |
| Molecular Formula | C136H207F14N23O2 |
| Molecular Weight | 2462.28 g/mol |
| Exact Mass | 2460.66 |
| IUPAC Name | tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine |
| SMILES | CC(C)N1CCN(C(=O)OC(C)(C)C)CC1C(F)(F)F.CC(C)N1CCN(c2ccc(C(F)(F)F)cn2)C[C@H]1C.CC(C)N1CCN(c2ccc(F)cc2)CC1C(F)(F)F.CC(C)N1CCN(c2ccc(F)cc2)CC1CF.CC(C)N1CCN(c2ccc(F)cc2)C[C@@H]1C.CC(C)N1CCN(c2ccc(F)cc2)C[C@H]1C.CC(C)N1CCN(c2ccccc2)C[C@@H]1C.CC(C)N1CCN(c2ccccc2)C[C@H]1C.CC(C)N1CCN(c2ccccn2)CC1.CC(C)N1CCN(c2ccccn2)C[C@H]1C |
| InChI | InChI=1S/C14H18F4N2.C14H20F3N3.C14H20F2N2.2C14H21FN2.2C14H22N2.C13H23F3N2O2.C13H21N3.C12H19N3/c1-10(2)20-8-7-19(9-13(20)14(16,17)18)12-5-3-11(15)4-6-12;1-10(2)20-7-6-19(9-11(20)3)13-5-4-12(8-18-13)14(15,16)17;1-11(2)18-8-7-17(10-14(18)9-15)13-5-3-12(16)4-6-13;2*1-11(2)17-9-8-16(10-12(17)3)14-6-4-13(15)5-7-14;2*1-12(2)16-10-9-15(11-13(16)3)14-7-5-4-6-8-14;1-9(2)18-7-6-17(8-10(18)13(14,15)16)11(19)20-12(3,4)5;1-11(2)16-9-8-15(10-12(16)3)13-6-4-5-7-14-13;1-11(2)14-7-9-15(10-8-14)12-5-3-4-6-13-12/h3-6,10,13H,7-9H2,1-2H3;4-5,8,10-11H,6-7,9H2,1-3H3;3-6,11,14H,7-10H2,1-2H3;2*4-7,11-12H,8-10H2,1-3H3;2*4-8,12-13H,9-11H2,1-3H3;9-10H,6-8H2,1-5H3;4-7,11-12H,8-10H2,1-3H3;3-6,11H,7-10H2,1-2H3/t;11-;;2*12-;2*13-;;12-;/m.1.1010.1./s1 |
| InChIKey | JDNBXTFUAJCAIK-UEZGUDIKSA-N |
| XLogP | 26.19 |
| TPSA | 129.77 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 175 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2462.28 |
| LogP ≤ 5 | 26.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |