C81H124N10O11 — CID 157083140
(2R)-2-(methoxymethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;(2S)-2-(methoxymethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(methoxymethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;4-(6-propan-2-yl-3-pyridinyl)oxan-4-ol (PubChem CID 157083140) has the molecular formula C81H124N10O11 and a molecular weight of 1413.94 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;(2S)-2-(methoxymethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(methoxymethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;4-(6-propan-2-yl-3-pyridinyl)oxan-4-ol.
| Compound Name | (2R)-2-(methoxymethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;(2S)-2-(methoxymethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(methoxymethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;4-(6-propan-2-yl-3-pyridinyl)oxan-4-ol |
|---|---|
| PubChem CID | 157083140 |
| Molecular Formula | C81H124N10O11 |
| Molecular Weight | 1413.94 g/mol |
| Exact Mass | 1412.95 |
| IUPAC Name | (2R)-2-(methoxymethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;(2S)-2-(methoxymethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(methoxymethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;4-(6-propan-2-yl-3-pyridinyl)oxan-4-ol |
| SMILES | CC(C)c1ccc(C2(O)CCOCC2)cn1.CC(C)c1ccc(C2CCOCC2)cn1.CC(C)c1ccc(N2CCO[C@@H](CO)C2)cn1.COCC1CN(c2ccc(C(C)C)nc2)CCO1.COC[C@@H]1CN(c2ccc(C(C)C)nc2)CCO1.COC[C@H]1CN(c2ccc(C(C)C)nc2)CCO1 |
| InChI | InChI=1S/3C14H22N2O2.C13H20N2O2.C13H19NO2.C13H19NO/c3*1-11(2)14-5-4-12(8-15-14)16-6-7-18-13(9-16)10-17-3;1-10(2)13-4-3-11(7-14-13)15-5-6-17-12(8-15)9-16;1-10(2)12-4-3-11(9-14-12)13(15)5-7-16-8-6-13;1-10(2)13-4-3-12(9-14-13)11-5-7-15-8-6-11/h3*4-5,8,11,13H,6-7,9-10H2,1-3H3;3-4,7,10,12,16H,5-6,8-9H2,1-2H3;3-4,9-10,15H,5-8H2,1-2H3;3-4,9-11H,5-8H2,1-2H3/t2*13-;;12-;;/m10.1../s1 |
| InChIKey | ADTZLKOVCGKGPB-UJIUVOBPSA-N |
| XLogP | 12.87 |
| TPSA | 213.83 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 102 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1413.94 |
| LogP ≤ 5 | 12.87 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 21 |