C154H216F14N26O20 — CID 160932830
1-[3,4-bis(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-2-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(2-fluoro-4-methoxyphenyl)piperazine;1-(3-fluoro-4-methoxyphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine;1-[4-methoxy-2-(trifluoromethyl)phenyl]piperazine;1-[4-(trifluoromethoxy)phenyl]piperazine (PubChem CID 160932830) has the molecular formula C154H216F14N26O20 and a molecular weight of 3017.56 g/mol. Its IUPAC name is 1-[3,4-bis(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-2-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(2-fluoro-4-methoxyphenyl)piperazine;1-(3-fluoro-4-methoxyphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine;1-[4-methoxy-2-(trifluoromethyl)phenyl]piperazine;1-[4-(trifluoromethoxy)phenyl]piperazine.
| Compound Name | 1-[3,4-bis(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-2-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(2-fluoro-4-methoxyphenyl)piperazine;1-(3-fluoro-4-methoxyphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine;1-[4-methoxy-2-(trifluoromethyl)phenyl]piperazine;1-[4-(trifluoromethoxy)phenyl]piperazine |
|---|---|
| PubChem CID | 160932830 |
| Molecular Formula | C154H216F14N26O20 |
| Molecular Weight | 3017.56 g/mol |
| Exact Mass | 3015.65 |
| IUPAC Name | 1-[3,4-bis(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-2-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(2-fluoro-4-methoxyphenyl)piperazine;1-(3-fluoro-4-methoxyphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine;1-[4-methoxy-2-(trifluoromethyl)phenyl]piperazine;1-[4-(trifluoromethoxy)phenyl]piperazine |
| SMILES | COCCOc1cc(F)ccc1N1CCNCC1.COCCOc1cc(N2CCNCC2)ccc1F.COCCOc1ccc(N2CCNCC2)c(C#N)c1.COCCOc1ccc(N2CCNCC2)c(C)c1.COCCOc1ccc(N2CCNCC2)cc1C(F)(F)F.COCCOc1ccc(N2CCNCC2)cc1OCCOC.COc1ccc(N2CCNCC2)c(C(F)(F)F)c1.COc1ccc(N2CCNCC2)c(F)c1.COc1ccc(N2CCNCC2)cc1F.Cc1cc(F)ccc1N1CCNCC1.FC(F)(F)Oc1ccc(N2CCNCC2)cc1.[C-]#[N+]c1cc(N2CCNCC2)ccc1OCCOC |
| InChI | InChI=1S/C16H26N2O4.C14H19F3N2O2.2C14H19N3O2.C14H22N2O2.2C13H19FN2O2.C12H15F3N2O.C11H13F3N2O.2C11H15FN2O.C11H15FN2/c1-19-9-11-21-15-4-3-14(18-7-5-17-6-8-18)13-16(15)22-12-10-20-2;1-20-8-9-21-13-3-2-11(10-12(13)14(15,16)17)19-6-4-18-5-7-19;1-15-13-11-12(17-7-5-16-6-8-17)3-4-14(13)19-10-9-18-2;1-18-8-9-19-13-2-3-14(12(10-13)11-15)17-6-4-16-5-7-17;1-12-11-13(18-10-9-17-2)3-4-14(12)16-7-5-15-6-8-16;1-17-8-9-18-13-10-11(2-3-12(13)14)16-6-4-15-5-7-16;1-17-8-9-18-13-10-11(14)2-3-12(13)16-6-4-15-5-7-16;1-18-9-2-3-11(10(8-9)12(13,14)15)17-6-4-16-5-7-17;12-11(13,14)17-10-3-1-9(2-4-10)16-7-5-15-6-8-16;1-15-9-2-3-11(10(12)8-9)14-6-4-13-5-7-14;1-15-11-3-2-9(8-10(11)12)14-6-4-13-5-7-14;1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14/h3-4,13,17H,5-12H2,1-2H3;2-3,10,18H,4-9H2,1H3;3-4,11,16H,5-10H2,2H3;2-3,10,16H,4-9H2,1H3;3-4,11,15H,5-10H2,1-2H3;2*2-3,10,15H,4-9H2,1H3;2-3,8,16H,4-7H2,1H3;1-4,15H,5-8H2;2*2-3,8,13H,4-7H2,1H3;2-3,8,13H,4-7H2,1H3 |
| InChIKey | STMGQXAQJUCXHK-UHFFFAOYSA-N |
| XLogP | 18.05 |
| TPSA | 395.99 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 214 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3017.56 |
| LogP ≤ 5 | 18.05 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 45 |
| Structural Alerts | {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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