C154H222Cl3F4N17OS2 — CID 158824564
4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine (PubChem CID 158824564) has the molecular formula C154H222Cl3F4N17OS2 and a molecular weight of 2574.07 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine.
| Compound Name | 4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine |
|---|---|
| PubChem CID | 158824564 |
| Molecular Formula | C154H222Cl3F4N17OS2 |
| Molecular Weight | 2574.07 g/mol |
| Exact Mass | 2570.63 |
| IUPAC Name | 4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine |
| SMILES | CN1CCC(Cc2ccc(Cl)c(Cl)c2)CC1.CN1CCC(Cc2ccc(Cl)cc2)CC1.CN1CCC(Cc2ccc(F)cc2)CC1.CN1CCC(Cc2ccccn2)CC1.CN1CCC(Cc2cccnc2)CC1.CN1CCC(Cc2ccncc2)CC1.CN1CCC(Sc2ccccn2)CC1.CN1CCC(Sc2ccncc2)CC1.COc1ccc(CC2CCN(C)CC2)cc1.Cc1cc(CC2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1ccc(CC2CCN(C)CC2)cc1.Cc1ccc(CC2CCN(C)CC2)cc1 |
| InChI | InChI=1S/C15H20F3N.C14H21NO.2C14H21N.C13H17Cl2N.C13H18ClN.C13H18FN.3C12H18N2.2C11H16N2S/c1-11-7-13(10-14(8-11)15(16,17)18)9-12-3-5-19(2)6-4-12;1-15-9-7-13(8-10-15)11-12-3-5-14(16-2)6-4-12;2*1-12-3-5-13(6-4-12)11-14-7-9-15(2)10-8-14;1-16-6-4-10(5-7-16)8-11-2-3-12(14)13(15)9-11;2*1-15-8-6-12(7-9-15)10-11-2-4-13(14)5-3-11;1-14-8-4-12(5-9-14)10-11-2-6-13-7-3-11;1-14-7-4-11(5-8-14)9-12-3-2-6-13-10-12;1-14-8-5-11(6-9-14)10-12-4-2-3-7-13-12;1-13-8-4-11(5-9-13)14-10-2-6-12-7-3-10;1-13-8-5-10(6-9-13)14-11-4-2-3-7-12-11/h7-8,10,12H,3-6,9H2,1-2H3;3-6,13H,7-11H2,1-2H3;2*3-6,14H,7-11H2,1-2H3;2-3,9-10H,4-8H2,1H3;2*2-5,12H,6-10H2,1H3;2-3,6-7,12H,4-5,8-10H2,1H3;2-3,6,10-11H,4-5,7-9H2,1H3;2-4,7,11H,5-6,8-10H2,1H3;2-3,6-7,11H,4-5,8-9H2,1H3;2-4,7,10H,5-6,8-9H2,1H3 |
| InChIKey | IWHJIBBBSJPLOZ-UHFFFAOYSA-N |
| XLogP | 32.48 |
| TPSA | 112.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 181 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2574.07 |
| LogP ≤ 5 | 32.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |