C210H430FN11O3 — CID 162088911
(3S)-1-ethyl-3-(2-methylpropyl)piperidine;1-fluoro-1-(2-methylpropyl)cyclohexane;3-(3-methylbutan-2-yl)pyrrolidine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-3-(2-methylpropyl)piperidine;(3R)-1-methyl-3-(2-methylpropyl)piperidine;(3S)-1-methyl-3-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;(3R)-1-methyl-3-(2-methylpropyl)pyrrolidine;(3S)-1-methyl-3-(2-methylpropyl)pyrrolidine;2-methylpropylcyclobutane;tris(2-methylpropylcyclohexane);1-(2-methylpropyl)cyclohexan-1-ol;tris(2-methylpropylcyclopentane);2-(2-methylpropyl)oxane;4-(2-methylpropyl)oxane;4-(2-methylpropyl)piperidine;(3S)-3-(2-methylpropyl)-1-propylpiperidine (PubChem CID 162088911) has the molecular formula C210H430FN11O3 and a molecular weight of 3176.82 g/mol. Its IUPAC name is (3S)-1-ethyl-3-(2-methylpropyl)piperidine;1-fluoro-1-(2-methylpropyl)cyclohexane;3-(3-methylbutan-2-yl)pyrrolidine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-3-(2-methylpropyl)piperidine;(3R)-1-methyl-3-(2-methylpropyl)piperidine;(3S)-1-methyl-3-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;(3R)-1-methyl-3-(2-methylpropyl)pyrrolidine;(3S)-1-methyl-3-(2-methylpropyl)pyrrolidine;2-methylpropylcyclobutane;tris(2-methylpropylcyclohexane);1-(2-methylpropyl)cyclohexan-1-ol;tris(2-methylpropylcyclopentane);2-(2-methylpropyl)oxane;4-(2-methylpropyl)oxane;4-(2-methylpropyl)piperidine;(3S)-3-(2-methylpropyl)-1-propylpiperidine.
| Compound Name | (3S)-1-ethyl-3-(2-methylpropyl)piperidine;1-fluoro-1-(2-methylpropyl)cyclohexane;3-(3-methylbutan-2-yl)pyrrolidine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-3-(2-methylpropyl)piperidine;(3R)-1-methyl-3-(2-methylpropyl)piperidine;(3S)-1-methyl-3-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;(3R)-1-methyl-3-(2-methylpropyl)pyrrolidine;(3S)-1-methyl-3-(2-methylpropyl)pyrrolidine;2-methylpropylcyclobutane;tris(2-methylpropylcyclohexane);1-(2-methylpropyl)cyclohexan-1-ol;tris(2-methylpropylcyclopentane);2-(2-methylpropyl)oxane;4-(2-methylpropyl)oxane;4-(2-methylpropyl)piperidine;(3S)-3-(2-methylpropyl)-1-propylpiperidine |
|---|---|
| PubChem CID | 162088911 |
| Molecular Formula | C210H430FN11O3 |
| Molecular Weight | 3176.82 g/mol |
| Exact Mass | 3174.38 |
| IUPAC Name | (3S)-1-ethyl-3-(2-methylpropyl)piperidine;1-fluoro-1-(2-methylpropyl)cyclohexane;3-(3-methylbutan-2-yl)pyrrolidine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-3-(2-methylpropyl)piperidine;(3R)-1-methyl-3-(2-methylpropyl)piperidine;(3S)-1-methyl-3-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;(3R)-1-methyl-3-(2-methylpropyl)pyrrolidine;(3S)-1-methyl-3-(2-methylpropyl)pyrrolidine;2-methylpropylcyclobutane;tris(2-methylpropylcyclohexane);1-(2-methylpropyl)cyclohexan-1-ol;tris(2-methylpropylcyclopentane);2-(2-methylpropyl)oxane;4-(2-methylpropyl)oxane;4-(2-methylpropyl)piperidine;(3S)-3-(2-methylpropyl)-1-propylpiperidine |
| SMILES | CC(C)C(C)C1CCNC1.CC(C)CC1(F)CCCCC1.CC(C)CC1(O)CCCCC1.CC(C)CC1CCC1.CC(C)CC1CCCC1.CC(C)CC1CCCC1.CC(C)CC1CCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCO1.CC(C)CC1CCCN(C)C1.CC(C)CC1CCN(C)C1.CC(C)CC1CCNCC1.CC(C)CC1CCOCC1.CC(C)CC[C@@H]1CCCN1.CC(C)C[C@@H]1CCCN(C)C1.CC(C)C[C@@H]1CCN(C)C1.CC(C)C[C@H]1CCCN(C)C1.CC(C)C[C@H]1CCN(C)C1.CCCN1CCC[C@@H](CC(C)C)C1.CCN1CCC[C@@H](CC(C)C)C1 |
| InChI | InChI=1S/C12H25N.C11H23N.C10H19F.3C10H21N.C10H20O.3C10H20.6C9H19N.2C9H18O.3C9H18.C8H16/c1-4-7-13-8-5-6-12(10-13)9-11(2)3;1-4-12-7-5-6-11(9-12)8-10(2)3;1-9(2)8-10(11)6-4-3-5-7-10;3*1-9(2)7-10-5-4-6-11(3)8-10;1-9(2)8-10(11)6-4-3-5-7-10;3*1-9(2)8-10-6-4-3-5-7-10;3*1-8(2)6-9-4-5-10(3)7-9;1-7(2)8(3)9-4-5-10-6-9;1-8(2)7-9-3-5-10-6-4-9;1-8(2)5-6-9-4-3-7-10-9;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-10-9;3*1-8(2)7-9-5-3-4-6-9;1-7(2)6-8-4-3-5-8/h11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;9H,3-8H2,1-2H3;3*9-10H,4-8H2,1-3H3;9,11H,3-8H2,1-2H3;3*9-10H,3-8H2,1-2H3;3*8-9H,4-7H2,1-3H3;7-10H,4-6H2,1-3H3;2*8-10H,3-7H2,1-2H3;2*8-9H,3-7H2,1-2H3;3*8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3/t12-;11-;;2*10-;;;;;;2*9-;;;;9-;;;;;;/m00.10.....10...0....../s1 |
| InChIKey | ZDIJBYQNYKLMFA-FDNZJVGWSA-N |
| XLogP | 59.92 |
| TPSA | 100.70 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 225 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3176.82 |
| LogP ≤ 5 | 59.92 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 14 |