C193H307N15O19 — CID 157107239
methane;1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene;1-[2-(3-methoxypropoxy)ethoxy]-2-[(4-methylphenoxy)methyl]benzene;1-(3-methoxypropoxy)-3-(4-methylphenyl)benzene;1-[3-(3-methoxypropoxy)propoxy]-4-(4-methylphenyl)benzene;1-(3-methoxypropyl)-4-(4-methylphenyl)piperazine;1-methyl-4-[3-[2-(4-methylphenoxy)ethoxy]propyl]piperazine;1-methyl-3-[3-(4-methylphenoxy)propoxy]benzene;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;4-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine;1-methyl-4-(4-methylpiperidin-1-yl)piperidine (PubChem CID 157107239) has the molecular formula C193H307N15O19 and a molecular weight of 3141.66 g/mol. Its IUPAC name is methane;1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene;1-[2-(3-methoxypropoxy)ethoxy]-2-[(4-methylphenoxy)methyl]benzene;1-(3-methoxypropoxy)-3-(4-methylphenyl)benzene;1-[3-(3-methoxypropoxy)propoxy]-4-(4-methylphenyl)benzene;1-(3-methoxypropyl)-4-(4-methylphenyl)piperazine;1-methyl-4-[3-[2-(4-methylphenoxy)ethoxy]propyl]piperazine;1-methyl-3-[3-(4-methylphenoxy)propoxy]benzene;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;4-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine;1-methyl-4-(4-methylpiperidin-1-yl)piperidine.
| Compound Name | methane;1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene;1-[2-(3-methoxypropoxy)ethoxy]-2-[(4-methylphenoxy)methyl]benzene;1-(3-methoxypropoxy)-3-(4-methylphenyl)benzene;1-[3-(3-methoxypropoxy)propoxy]-4-(4-methylphenyl)benzene;1-(3-methoxypropyl)-4-(4-methylphenyl)piperazine;1-methyl-4-[3-[2-(4-methylphenoxy)ethoxy]propyl]piperazine;1-methyl-3-[3-(4-methylphenoxy)propoxy]benzene;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;4-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine;1-methyl-4-(4-methylpiperidin-1-yl)piperidine |
|---|---|
| PubChem CID | 157107239 |
| Molecular Formula | C193H307N15O19 |
| Molecular Weight | 3141.66 g/mol |
| Exact Mass | 3139.35 |
| IUPAC Name | methane;1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene;1-[2-(3-methoxypropoxy)ethoxy]-2-[(4-methylphenoxy)methyl]benzene;1-(3-methoxypropoxy)-3-(4-methylphenyl)benzene;1-[3-(3-methoxypropoxy)propoxy]-4-(4-methylphenyl)benzene;1-(3-methoxypropyl)-4-(4-methylphenyl)piperazine;1-methyl-4-[3-[2-(4-methylphenoxy)ethoxy]propyl]piperazine;1-methyl-3-[3-(4-methylphenoxy)propoxy]benzene;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine;1-methyl-4-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;4-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]piperidine;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine;1-methyl-4-(4-methylpiperidin-1-yl)piperidine |
| SMILES | C.CC1CCN(C2CCN(C)CC2)CC1.CC1CCN(CC2CCN(C)CC2)CC1.CC1CCN(CCC2CCN(C)CC2)CC1.CC1CCN(CCN2CCC(C)CC2)CC1.CC1CCN(CCN2CCN(C)CC2)CC1.COCCCN1CCN(c2ccc(C)cc2)CC1.COCCCOCCCOc1ccc(-c2ccc(C)cc2)cc1.COCCCOCCOc1ccccc1COc1ccc(C)cc1.COCCCOc1cccc(-c2ccc(C)cc2)c1.COCCOCCOc1cccc(OCCOc2ccc(C)cc2)c1.Cc1ccc(OCCCOc2cccc(C)c2)cc1.Cc1ccc(OCCOCCCN2CCN(C)CC2)cc1 |
| InChI | InChI=1S/C20H26O5.C20H26O4.C20H26O3.C17H28N2O2.2C17H20O2.C15H24N2O.2C14H28N2.C13H27N3.C13H26N2.C12H24N2.CH4/c1-17-6-8-18(9-7-17)23-14-15-25-20-5-3-4-19(16-20)24-13-12-22-11-10-21-2;1-17-8-10-19(11-9-17)24-16-18-6-3-4-7-20(18)23-15-14-22-13-5-12-21-2;1-17-5-7-18(8-6-17)19-9-11-20(12-10-19)23-16-4-15-22-14-3-13-21-2;1-16-4-6-17(7-5-16)21-15-14-20-13-3-8-19-11-9-18(2)10-12-19;1-14-7-9-15(10-8-14)16-5-3-6-17(13-16)19-12-4-11-18-2;1-14-7-9-16(10-8-14)18-11-4-12-19-17-6-3-5-15(2)13-17;1-14-4-6-15(7-5-14)17-11-9-16(10-12-17)8-3-13-18-2;1-13-3-10-16(11-4-13)12-7-14-5-8-15(2)9-6-14;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-13-3-5-15(6-4-13)11-12-16-9-7-14(2)8-10-16;1-12-3-9-15(10-4-12)11-13-5-7-14(2)8-6-13;1-11-3-9-14(10-4-11)12-5-7-13(2)8-6-12;/h3-9,16H,10-15H2,1-2H3;3-4,6-11H,5,12-16H2,1-2H3;5-12H,3-4,13-16H2,1-2H3;4-7H,3,8-15H2,1-2H3;2*3,5-10,13H,4,11-12H2,1-2H3;4-7H,3,8-13H2,1-2H3;2*13-14H,3-12H2,1-2H3;13H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;1H4 |
| InChIKey | AGKYOYJWVNJUNS-UHFFFAOYSA-N |
| XLogP | 34.77 |
| TPSA | 223.97 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 70 |
| Heavy Atoms | 227 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3141.66 |
| LogP ≤ 5 | 34.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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