C165H335N17O12 — CID 159517276
tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine (PubChem CID 159517276) has the molecular formula C165H335N17O12 and a molecular weight of 2749.60 g/mol. Its IUPAC name is tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine.
| Compound Name | tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine |
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| PubChem CID | 159517276 |
| Molecular Formula | C165H335N17O12 |
| Molecular Weight | 2749.60 g/mol |
| Exact Mass | 2747.61 |
| IUPAC Name | tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine |
| SMILES | CC(C)C1CCCCN1.CC(C)C1CCCCN1C.CC(C)C1CCCCN1C(=O)OC(C)(C)C.CC(C)C1CCCN(C(=O)OC(C)(C)C)C1.CC(C)C1CCCN(C)C1.CC(C)C1CCCNC1.CCC1CCCCN1.CCC1CCCCN1C.CCC1CCCCN1C(=O)OC(C)(C)C.CCC1CCCN(C(=O)OC(C)(C)C)C1.CCC1CCCN(C)C1.CCC1CCCNC1.CCCC1CCCCN1.CCCC1CCCCN1C.CCCC1CCCCN1C(=O)OC(C)(C)C.CCCC1CCCN(C(=O)OC(C)(C)C)C1.CCCC1CCCNC1 |
| InChI | InChI=1S/4C13H25NO2.2C12H23NO2.3C9H19N.6C8H17N.2C7H15N/c1-10(2)11-7-6-8-14(9-11)12(15)16-13(3,4)5;1-10(2)11-8-6-7-9-14(11)12(15)16-13(3,4)5;1-5-8-11-9-6-7-10-14(11)12(15)16-13(2,3)4;1-5-7-11-8-6-9-14(10-11)12(15)16-13(2,3)4;1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4;1-5-10-8-6-7-9-13(10)11(14)15-12(2,3)4;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-3-6-9-7-4-5-8-10(9)2;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-3-8-5-4-6-9(2)7-8;1-3-8-6-4-5-7-9(8)2;1-2-5-8-6-3-4-7-9-8;1-2-4-8-5-3-6-9-7-8;1-2-7-4-3-5-8-6-7;1-2-7-5-3-4-6-8-7/h2*10-11H,6-9H2,1-5H3;2*11H,5-10H2,1-4H3;2*10H,5-9H2,1-4H3;2*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;2*7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;2*8-9H,2-7H2,1H3;2*7-8H,2-6H2,1H3 |
| InChIKey | MBIYYQJIROWLEE-UHFFFAOYSA-N |
| XLogP | 40.04 |
| TPSA | 265.62 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 194 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2749.60 |
| LogP ≤ 5 | 40.04 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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