C163H241Cl8F10N11O3 — CID 162185114
4-tert-butyl-1-[(4-chloro-3-methylphenyl)methyl]piperidine;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;4-tert-butyl-1-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-methyl-N-propan-2-ylaniline;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine (PubChem CID 162185114) has the molecular formula C163H241Cl8F10N11O3 and a molecular weight of 2876.40 g/mol. Its IUPAC name is 4-tert-butyl-1-[(4-chloro-3-methylphenyl)methyl]piperidine;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;4-tert-butyl-1-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-methyl-N-propan-2-ylaniline;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine.
| Compound Name | 4-tert-butyl-1-[(4-chloro-3-methylphenyl)methyl]piperidine;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;4-tert-butyl-1-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-methyl-N-propan-2-ylaniline;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine |
|---|---|
| PubChem CID | 162185114 |
| Molecular Formula | C163H241Cl8F10N11O3 |
| Molecular Weight | 2876.40 g/mol |
| Exact Mass | 2870.64 |
| IUPAC Name | 4-tert-butyl-1-[(4-chloro-3-methylphenyl)methyl]piperidine;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;4-tert-butyl-1-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-methyl-N-propan-2-ylaniline;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine |
| SMILES | CC(C)(C)C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1.CC(C)(C)C1CCN(Cc2cc(F)c(Cl)cc2Cl)CC1.CC(C)C1(F)CN(Cc2ccc(Cl)cc2C(F)(F)F)C1.CC(C)COc1ncc(C(C)(C)C)cc1C1CC1.CC(C)COc1ncc(C(C)(C)C)cc1Cl.Cc1cc(CN2CCC(C(C)(C)C)CC2)cc(OC(F)(F)F)c1.Cc1cc(CN2CCC(C(C)(C)C)CC2)ccc1Cl.Cc1cc(Cl)c(F)c(CN2CCC(C(C)C)CC2)c1.Cc1ccc(F)c(CN2CCC(C(C)(C)C)CC2)c1.Cc1ccc(NC(C)C)c(CN2CCC(C(C)(C)C)CC2)c1 |
| InChI | InChI=1S/C20H34N2.C18H26F3NO.C17H26ClN.C17H26FN.C16H22Cl2FN.C16H23Cl2N.C16H23ClFN.C16H25NO.C14H16ClF4N.C13H20ClNO/c1-15(2)21-19-8-7-16(3)13-17(19)14-22-11-9-18(10-12-22)20(4,5)6;1-13-9-14(11-16(10-13)23-18(19,20)21)12-22-7-5-15(6-8-22)17(2,3)4;1-13-11-14(5-6-16(13)18)12-19-9-7-15(8-10-19)17(2,3)4;1-13-5-6-16(18)14(11-13)12-19-9-7-15(8-10-19)17(2,3)4;1-16(2,3)12-4-6-20(7-5-12)10-11-8-15(19)14(18)9-13(11)17;1-16(2,3)13-4-6-19(7-5-13)11-12-8-14(17)10-15(18)9-12;1-11(2)13-4-6-19(7-5-13)10-14-8-12(3)9-15(17)16(14)18;1-11(2)10-18-15-14(12-6-7-12)8-13(9-17-15)16(3,4)5;1-9(2)13(16)7-20(8-13)6-10-3-4-11(15)5-12(10)14(17,18)19;1-9(2)8-16-12-11(14)6-10(7-15-12)13(3,4)5/h7-8,13,15,18,21H,9-12,14H2,1-6H3;9-11,15H,5-8,12H2,1-4H3;2*5-6,11,15H,7-10,12H2,1-4H3;8-9,12H,4-7,10H2,1-3H3;8-10,13H,4-7,11H2,1-3H3;8-9,11,13H,4-7,10H2,1-3H3;8-9,11-12H,6-7,10H2,1-5H3;3-5,9H,6-8H2,1-2H3;6-7,9H,8H2,1-5H3 |
| InChIKey | ZPOCMYWOOGKNBK-UHFFFAOYSA-N |
| XLogP | 47.72 |
| TPSA | 91.42 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 195 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2876.40 |
| LogP ≤ 5 | 47.72 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'} |
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