C208H381ClF4N22O14 — CID 157132669
4-butoxy-1-propan-2-ylpiperidine;4-[(4-chlorophenyl)methyl]-1-propan-2-ylpiperidine;4-ethoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-fluoro-1-propan-2-ylpiperidine;4-(methoxymethyl)-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;N-methyl-N-phenyl-1-propan-2-ylpiperidin-4-amine;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine (PubChem CID 157132669) has the molecular formula C208H381ClF4N22O14 and a molecular weight of 3525.92 g/mol. Its IUPAC name is 4-butoxy-1-propan-2-ylpiperidine;4-[(4-chlorophenyl)methyl]-1-propan-2-ylpiperidine;4-ethoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-fluoro-1-propan-2-ylpiperidine;4-(methoxymethyl)-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;N-methyl-N-phenyl-1-propan-2-ylpiperidin-4-amine;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine.
| Compound Name | 4-butoxy-1-propan-2-ylpiperidine;4-[(4-chlorophenyl)methyl]-1-propan-2-ylpiperidine;4-ethoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-fluoro-1-propan-2-ylpiperidine;4-(methoxymethyl)-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;N-methyl-N-phenyl-1-propan-2-ylpiperidin-4-amine;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine |
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| PubChem CID | 157132669 |
| Molecular Formula | C208H381ClF4N22O14 |
| Molecular Weight | 3525.92 g/mol |
| Exact Mass | 3522.94 |
| IUPAC Name | 4-butoxy-1-propan-2-ylpiperidine;4-[(4-chlorophenyl)methyl]-1-propan-2-ylpiperidine;4-ethoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-fluoro-1-propan-2-ylpiperidine;4-(methoxymethyl)-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;N-methyl-N-phenyl-1-propan-2-ylpiperidin-4-amine;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine |
| SMILES | CC(=O)OC1CCN(C(C)C)CC1.CC(C)N1CCC(=O)CC1.CC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCC(Cc2ccc(Cl)cc2)CC1.CC(C)N1CCC(F)CC1.CC(C)N1CCC(N(C)c2ccccc2)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(Nc2ccccc2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCC(OC(=O)C(C)(C)C)CC1.CC(C)N1CCC(Oc2ccccc2)CC1.CC(C)OC1CCN(C(C)C)CC1.CCCCOC1CCN(C(C)C)CC1.CCOC(=O)C1(c2ccccc2)CCN(C(C)C)CC1.CCOC1CCN(C(C)C)CC1.COC1CCN(C(C)C)CC1.COCC1CCN(C(C)C)CC1 |
| InChI | InChI=1S/C17H25NO2.C15H22ClN.C15H24N2.C14H22N2.C14H21NO.C13H26N2.C13H25NO2.C12H24N2.C12H25NO.C11H23NO.C10H19NO2.2C10H21NO.C9H16F3N.C9H19NO.C8H16FN.C8H17NO.C8H15NO/c1-4-20-16(19)17(15-8-6-5-7-9-15)10-12-18(13-11-17)14(2)3;1-12(2)17-9-7-14(8-10-17)11-13-3-5-15(16)6-4-13;1-13(2)17-11-9-15(10-12-17)16(3)14-7-5-4-6-8-14;1-12(2)16-10-8-14(9-11-16)15-13-6-4-3-5-7-13;1-12(2)15-10-8-14(9-11-15)16-13-6-4-3-5-7-13;1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-10(2)14-8-6-11(7-9-14)16-12(15)13(3,4)5;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-4-5-10-14-12-6-8-13(9-7-12)11(2)3;1-9(2)12-7-5-11(6-8-12)13-10(3)4;1-8(2)11-6-4-10(5-7-11)13-9(3)12;1-9(2)11-6-4-10(5-7-11)8-12-3;1-4-12-10-5-7-11(8-6-10)9(2)3;1-7(2)13-5-3-8(4-6-13)9(10,11)12;1-8(2)10-6-4-9(11-3)5-7-10;1-7(2)10-5-3-8(9)4-6-10;2*1-7(2)9-5-3-8(10)4-6-9/h5-9,14H,4,10-13H2,1-3H3;3-6,12,14H,7-11H2,1-2H3;4-8,13,15H,9-12H2,1-3H3;3-7,12,14-15H,8-11H2,1-2H3;3-7,12,14H,8-11H2,1-2H3;12-13H,3-11H2,1-2H3;10-11H,6-9H2,1-5H3;11-12H,3-10H2,1-2H3;11-12H,4-10H2,1-3H3;9-11H,5-8H2,1-4H3;8,10H,4-7H2,1-3H3;2*9-10H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3;8-9H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3 |
| InChIKey | AJGICRLMVVNFJJ-UHFFFAOYSA-N |
| XLogP | 40.59 |
| TPSA | 251.65 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 249 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3525.92 |
| LogP ≤ 5 | 40.59 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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