C120H178ClF17N12O2 — CID 158764934
4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine (PubChem CID 158764934) has the molecular formula C120H178ClF17N12O2 and a molecular weight of 2179.24 g/mol. Its IUPAC name is 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine.
| Compound Name | 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine |
|---|---|
| PubChem CID | 158764934 |
| Molecular Formula | C120H178ClF17N12O2 |
| Molecular Weight | 2179.24 g/mol |
| Exact Mass | 2177.36 |
| IUPAC Name | 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine |
| SMILES | CC(C)(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCOCC2)c(Cl)c1.CC(C)N1CCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.CC1CN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CCN1.CN1CCCC1COc1cc(F)cc(C(C)(C)C)c1.CN1CCCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1 |
| InChI | InChI=1S/C19H29F3N2.C18H26F4N2.C18H27F3N2.2C17H25F3N2.C16H24FNO.C15H22ClNO/c1-14(2)24-10-8-23(9-11-24)13-15-6-7-16(18(3,4)5)12-17(15)19(20,21)22;1-17(2,3)15-5-4-14(16(12-15)18(20,21)22)13-24-10-8-23(7-6-19)9-11-24;1-17(2,3)15-7-6-14(16(12-15)18(19,20)21)13-23-9-5-8-22(4)10-11-23;1-16(2,3)14-6-5-13(15(11-14)17(18,19)20)12-22-9-7-21(4)8-10-22;1-12-10-22(8-7-21-12)11-13-5-6-14(16(2,3)4)9-15(13)17(18,19)20;1-16(2,3)12-8-13(17)10-15(9-12)19-11-14-6-5-7-18(14)4;1-15(2,3)13-5-4-12(14(16)10-13)11-17-6-8-18-9-7-17/h6-7,12,14H,8-11,13H2,1-5H3;4-5,12H,6-11,13H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;5-6,11H,7-10,12H2,1-4H3;5-6,9,12,21H,7-8,10-11H2,1-4H3;8-10,14H,5-7,11H2,1-4H3;4-5,10H,6-9,11H2,1-3H3 |
| InChIKey | IPDDWYXRTYQQCD-UHFFFAOYSA-N |
| XLogP | 27.37 |
| TPSA | 66.13 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 152 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2179.24 |
| LogP ≤ 5 | 27.37 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 14 |