C131H213FN22O11 — CID 159921160
(3S,4S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;3-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R)-3-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R)-3-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;3-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol (PubChem CID 159921160) has the molecular formula C131H213FN22O11 and a molecular weight of 2291.29 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;3-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R)-3-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R)-3-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;3-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol.
| Compound Name | (3S,4S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;3-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R)-3-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R)-3-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;3-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol |
|---|---|
| PubChem CID | 159921160 |
| Molecular Formula | C131H213FN22O11 |
| Molecular Weight | 2291.29 g/mol |
| Exact Mass | 2289.68 |
| IUPAC Name | (3S,4S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;3-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R)-3-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R)-3-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;3-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol |
| SMILES | CC(C)c1ccc(N2CCCC(C(C)(C)O)C2)cn1.CC(C)c1ccc(N2CCCC(O)(CN3CCN(C)CC3)C2)cn1.CC(C)c1ccc(N2CCC[C@@](O)(CN3CCN(C)CC3)C2)cn1.CC(C)c1ccc(N2CCC[C@](O)(CN3CCN(C)CC3)C2)cn1.CC(C)c1ccc(N2CC[C@H](O)[C@@H](F)C2)cn1.COCC1(O)CCCN(c2ccc(C(C)C)nc2)C1.COC[C@@]1(O)CCCN(c2ccc(C(C)C)nc2)C1.COC[C@]1(O)CCCN(c2ccc(C(C)C)nc2)C1 |
| InChI | InChI=1S/3C19H32N4O.C16H26N2O.3C15H24N2O2.C13H19FN2O/c3*1-16(2)18-6-5-17(13-20-18)23-8-4-7-19(24,15-23)14-22-11-9-21(3)10-12-22;1-12(2)15-8-7-14(10-17-15)18-9-5-6-13(11-18)16(3,4)19;3*1-12(2)14-6-5-13(9-16-14)17-8-4-7-15(18,10-17)11-19-3;1-9(2)12-4-3-10(7-15-12)16-6-5-13(17)11(14)8-16/h3*5-6,13,16,24H,4,7-12,14-15H2,1-3H3;7-8,10,12-13,19H,5-6,9,11H2,1-4H3;3*5-6,9,12,18H,4,7-8,10-11H2,1-3H3;3-4,7,9,11,13,17H,5-6,8H2,1-2H3/t2*19-;;;2*15-;;11-,13-/m10..10.0/s1 |
| InChIKey | NYKHVZNEGWITGK-OJOWEIBJSA-N |
| XLogP | 17.21 |
| TPSA | 338.01 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2291.29 |
| LogP ≤ 5 | 17.21 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 33 |