C132H265F3N18O12 — CID 158429184
1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine (PubChem CID 158429184) has the molecular formula C132H265F3N18O12 and a molecular weight of 2353.68 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine.
| Compound Name | 1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine |
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| PubChem CID | 158429184 |
| Molecular Formula | C132H265F3N18O12 |
| Molecular Weight | 2353.68 g/mol |
| Exact Mass | 2352.06 |
| IUPAC Name | 1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine |
| SMILES | CC(C)(C)OC1CN(CCN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCC(=O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)OCC(CN1CCN(C(C)(C)C)CC1)C(F)(F)F.CC(C)(C)OCC(O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCCN1CCN(c2ccc(OC(C)(C)C)nc2)CC1.CC(C)N1CCN(CCC2CC(COC(C)(C)C)C2)CC1.CC(O)(COC(C)(C)C)CN1CCN(C(C)(C)C)CC1 |
| InChI | InChI=1S/C20H35N3O2.C18H36N2O.C17H35N3O.C16H31F3N2O.C16H34N2O2.C15H32N2O2.C15H30N2O2.C15H32N2O/c1-19(2,3)24-15-7-10-22-11-13-23(14-12-22)17-8-9-18(21-16-17)25-20(4,5)6;1-15(2)20-10-8-19(9-11-20)7-6-16-12-17(13-16)14-21-18(3,4)5;1-16(2,3)20-11-9-18(10-12-20)7-8-19-13-15(14-19)21-17(4,5)6;1-14(2,3)21-9-7-20(8-10-21)11-13(16(17,18)19)12-22-15(4,5)6;1-14(2,3)18-10-8-17(9-11-18)12-16(7,19)13-20-15(4,5)6;2*1-14(2,3)17-9-7-16(8-10-17)11-13(18)12-19-15(4,5)6;1-14(2,3)17-11-9-16(10-12-17)8-7-13-18-15(4,5)6/h8-9,16H,7,10-15H2,1-6H3;15-17H,6-14H2,1-5H3;15H,7-14H2,1-6H3;13H,7-12H2,1-6H3;19H,8-13H2,1-7H3;13,18H,7-12H2,1-6H3;7-12H2,1-6H3;7-13H2,1-6H3 |
| InChIKey | HBLDFXJZVCMBKS-UHFFFAOYSA-N |
| XLogP | 20.07 |
| TPSA | 208.57 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 165 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2353.68 |
| LogP ≤ 5 | 20.07 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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