C143H222N18O10 — CID 161030302
2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(3-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol (PubChem CID 161030302) has the molecular formula C143H222N18O10 and a molecular weight of 2353.46 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(3-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol.
| Compound Name | 2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(3-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol |
|---|---|
| PubChem CID | 161030302 |
| Molecular Formula | C143H222N18O10 |
| Molecular Weight | 2353.46 g/mol |
| Exact Mass | 2351.74 |
| IUPAC Name | 2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(3-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol |
| SMILES | CC(C)c1cc(CN2CCCCC2)ccn1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(CN2CCOCC2)nc1.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1cccc(N2CCOCC2)n1.CC(C)c1ccnc(CN2CCCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cncc(CN2CCCCC2)c1.CCC(O)COc1cc(C(C)C)ccn1.CCC(O)COc1cccc(C(C)C)n1.CCC(O)COc1ncccc1C(C)C |
| InChI | InChI=1S/4C14H22N2.C14H21NO.C13H20N2O.2C12H18N2O.3C12H19NO2/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)14-10-13(6-7-15-14)11-16-8-4-3-5-9-16;1-12(2)14-8-13(9-15-10-14)11-16-6-4-3-5-7-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-11(2)12-3-4-13(14-9-12)10-15-5-7-16-8-6-15;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-4-3-5-12(13-11)14-6-8-15-9-7-14;1-4-11(14)8-15-12-7-10(9(2)3)5-6-13-12;1-4-10(14)8-15-12-11(9(2)3)6-5-7-13-12;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3/h6-8,12H,3-5,9-11H2,1-2H3;2*6-7,10,12H,3-5,8-9,11H2,1-2H3;8-10,12H,3-7,11H2,1-2H3;3-6,12H,7-11H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-5,10H,6-9H2,1-2H3;5-7,9,11,14H,4,8H2,1-3H3;2*5-7,9-10,14H,4,8H2,1-3H3 |
| InChIKey | TZNHCXPNTONIIR-UHFFFAOYSA-N |
| XLogP | 28.59 |
| TPSA | 280.12 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 171 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2353.46 |
| LogP ≤ 5 | 28.59 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 28 |