C265H462N20O35 — CID 158339123
1-[2-(4-methoxybutoxy)ethoxy]-4-methylbenzene;1-[2-(4-methoxybutoxy)ethyl]-4-methylpiperidine;1-(4-methoxybutyl)-4-methylpiperidine;1-[4-(2-methoxyethoxy)butoxy]-4-methylbenzene;1-[2-(2-methoxyethoxy)ethyl]-4-(4-methylphenyl)piperazine;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidine;1-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-4-methylpiperidine;1-(2-methoxyethyl)-4-methylpiperidine;1-[2-(5-methoxypentoxy)ethyl]-4-methylpiperidine;1-(5-methoxypentyl)-4-methylpiperidine;1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine;1-[3-(3-methoxypropoxy)propoxy]-4-[3-[2-(4-methylphenoxy)ethoxy]propoxy]benzene;1-(3-methoxypropyl)-4-methylpiperidine;1-methyl-3-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butyl]piperazine;1-methyl-4-[2-(4-methylphenoxy)ethyl]piperazine;4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;1-methyl-4-[3-(4-methylphenoxy)propyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine (PubChem CID 158339123) has the molecular formula C265H462N20O35 and a molecular weight of 4488.72 g/mol. Its IUPAC name is 1-[2-(4-methoxybutoxy)ethoxy]-4-methylbenzene;1-[2-(4-methoxybutoxy)ethyl]-4-methylpiperidine;1-(4-methoxybutyl)-4-methylpiperidine;1-[4-(2-methoxyethoxy)butoxy]-4-methylbenzene;1-[2-(2-methoxyethoxy)ethyl]-4-(4-methylphenyl)piperazine;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidine;1-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-4-methylpiperidine;1-(2-methoxyethyl)-4-methylpiperidine;1-[2-(5-methoxypentoxy)ethyl]-4-methylpiperidine;1-(5-methoxypentyl)-4-methylpiperidine;1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine;1-[3-(3-methoxypropoxy)propoxy]-4-[3-[2-(4-methylphenoxy)ethoxy]propoxy]benzene;1-(3-methoxypropyl)-4-methylpiperidine;1-methyl-3-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butyl]piperazine;1-methyl-4-[2-(4-methylphenoxy)ethyl]piperazine;4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;1-methyl-4-[3-(4-methylphenoxy)propyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine.
| Compound Name | 1-[2-(4-methoxybutoxy)ethoxy]-4-methylbenzene;1-[2-(4-methoxybutoxy)ethyl]-4-methylpiperidine;1-(4-methoxybutyl)-4-methylpiperidine;1-[4-(2-methoxyethoxy)butoxy]-4-methylbenzene;1-[2-(2-methoxyethoxy)ethyl]-4-(4-methylphenyl)piperazine;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidine;1-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-4-methylpiperidine;1-(2-methoxyethyl)-4-methylpiperidine;1-[2-(5-methoxypentoxy)ethyl]-4-methylpiperidine;1-(5-methoxypentyl)-4-methylpiperidine;1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine;1-[3-(3-methoxypropoxy)propoxy]-4-[3-[2-(4-methylphenoxy)ethoxy]propoxy]benzene;1-(3-methoxypropyl)-4-methylpiperidine;1-methyl-3-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butyl]piperazine;1-methyl-4-[2-(4-methylphenoxy)ethyl]piperazine;4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;1-methyl-4-[3-(4-methylphenoxy)propyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine |
|---|---|
| PubChem CID | 158339123 |
| Molecular Formula | C265H462N20O35 |
| Molecular Weight | 4488.72 g/mol |
| Exact Mass | 4485.50 |
| IUPAC Name | 1-[2-(4-methoxybutoxy)ethoxy]-4-methylbenzene;1-[2-(4-methoxybutoxy)ethyl]-4-methylpiperidine;1-(4-methoxybutyl)-4-methylpiperidine;1-[4-(2-methoxyethoxy)butoxy]-4-methylbenzene;1-[2-(2-methoxyethoxy)ethyl]-4-(4-methylphenyl)piperazine;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidine;1-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-4-methylpiperidine;1-(2-methoxyethyl)-4-methylpiperidine;1-[2-(5-methoxypentoxy)ethyl]-4-methylpiperidine;1-(5-methoxypentyl)-4-methylpiperidine;1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine;1-[3-(3-methoxypropoxy)propoxy]-4-[3-[2-(4-methylphenoxy)ethoxy]propoxy]benzene;1-(3-methoxypropyl)-4-methylpiperidine;1-methyl-3-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butyl]piperazine;1-methyl-4-[2-(4-methylphenoxy)ethyl]piperazine;4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;1-methyl-4-[3-(4-methylphenoxy)propyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine |
| SMILES | COCCCCCN1CCC(C)CC1.COCCCCCOCCN1CCC(C)CC1.COCCCCN1CCC(C)CC1.COCCCCOCCN1CCC(C)CC1.COCCCCOCCOc1ccc(C)cc1.COCCCN1CCC(C)CC1.COCCCOCCCOc1ccc(OCCCOCCOc2ccc(C)cc2)cc1.COCCCOCCN1CCC(C)CC1.COCCN1CCC(C)CC1.COCCOCCCCOc1ccc(C)cc1.COCCOCCCOCCN1CCC(C)CC1.COCCOCCN1CCC(C)CC1.COCCOCCN1CCN(c2ccc(C)cc2)CC1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(OCCCCN2CCN(C)CC2)cc1.Cc1ccc(OCCCCOc2cccc(C)c2)cc1.Cc1ccc(OCCCN2CCN(C)CC2)cc1.Cc1ccc(OCCN2CCC(C)CC2)cc1.Cc1ccc(OCCN2CCN(C)CC2)cc1 |
| InChI | InChI=1S/C25H36O6.C18H22O2.C16H26N2O2.C16H26N2O.C15H24N2O.C15H23NO.C14H22N2O.C14H29NO3.C14H29NO2.2C14H22O3.C13H27NO2.C12H18N2.C12H25NO2.C12H25NO.C11H23NO2.C11H23NO.C10H21NO.C9H19NO/c1-22-6-8-23(9-7-22)31-21-20-28-17-5-19-30-25-12-10-24(11-13-25)29-18-4-16-27-15-3-14-26-2;1-15-8-10-17(11-9-15)19-12-3-4-13-20-18-7-5-6-16(2)14-18;1-15-3-5-16(6-4-15)18-9-7-17(8-10-18)11-12-20-14-13-19-2;1-15-5-7-16(8-6-15)19-14-4-3-9-18-12-10-17(2)11-13-18;1-14-4-6-15(7-5-14)18-13-3-8-17-11-9-16(2)10-12-17;1-13-3-5-15(6-4-13)17-12-11-16-9-7-14(2)8-10-16;1-13-3-5-14(6-4-13)17-12-11-16-9-7-15(2)8-10-16;1-14-4-6-15(7-5-14)8-11-17-9-3-10-18-13-12-16-2;1-14-6-8-15(9-7-14)10-13-17-12-5-3-4-11-16-2;1-13-5-7-14(8-6-13)17-10-4-3-9-16-12-11-15-2;1-13-5-7-14(8-6-13)17-12-11-16-10-4-3-9-15-2;1-13-5-7-14(8-6-13)9-12-16-11-4-3-10-15-2;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-12-4-6-13(7-5-12)8-11-15-10-3-9-14-2;1-12-6-9-13(10-7-12)8-4-3-5-11-14-2;1-11-3-5-12(6-4-11)7-8-14-10-9-13-2;1-11-5-8-12(9-6-11)7-3-4-10-13-2;1-10-4-7-11(8-5-10)6-3-9-12-2;1-9-3-5-10(6-4-9)7-8-11-2/h6-13H,3-5,14-21H2,1-2H3;5-11,14H,3-4,12-13H2,1-2H3;3-6H,7-14H2,1-2H3;5-8H,3-4,9-14H2,1-2H3;4-7H,3,8-13H2,1-2H3;3-6,14H,7-12H2,1-2H3;3-6H,7-12H2,1-2H3;14H,3-13H2,1-2H3;14H,3-13H2,1-2H3;2*5-8H,3-4,9-12H2,1-2H3;13H,3-12H2,1-2H3;3-6H,7-10H2,1-2H3;12H,3-11H2,1-2H3;12H,3-11H2,1-2H3;11H,3-10H2,1-2H3;11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;9H,3-8H2,1-2H3 |
| InChIKey | GQYGBQCFOWSRHT-UHFFFAOYSA-N |
| XLogP | 44.98 |
| TPSA | 387.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 55 |
| Rotatable Bonds | 128 |
| Heavy Atoms | 320 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4488.72 |
| LogP ≤ 5 | 44.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 55 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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