C134H217N15O4 — CID 158194055
4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate (PubChem CID 158194055) has the molecular formula C134H217N15O4 and a molecular weight of 2102.31 g/mol. Its IUPAC name is 4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate.
| Compound Name | 4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate |
|---|---|
| PubChem CID | 158194055 |
| Molecular Formula | C134H217N15O4 |
| Molecular Weight | 2102.31 g/mol |
| Exact Mass | 2100.72 |
| IUPAC Name | 4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate |
| SMILES | CC(C)(C)NC1CCC(Cc2ccccc2)CC1.CC(C)(C)NC1CCN(CC(c2ccccc2)c2ccccc2)CC1.CC(C)(C)NC1CCN(CC2Cc3ccccc3O2)CC1.CC(CN1CCC(NC(C)(C)C)CC1)c1ccccc1.CCOC(=O)N1CCC(NC(C)(C)C)CC1.CN(C)c1ccc(CN2CCC(NC(C)(C)C)CC2)cc1.COc1ccc(CN2CCC(NC(C)(C)C)CC2)cc1.Cc1cccc(NC(C)(C)C)c1 |
| InChI | InChI=1S/C23H32N2.C18H31N3.C18H28N2O.C18H30N2.C17H28N2O.C17H27N.C12H24N2O2.C11H17N/c1-23(2,3)24-21-14-16-25(17-15-21)18-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-18(2,3)19-16-10-12-21(13-11-16)14-15-6-8-17(9-7-15)20(4)5;1-18(2,3)19-15-8-10-20(11-9-15)13-16-12-14-6-4-5-7-17(14)21-16;1-15(16-8-6-5-7-9-16)14-20-12-10-17(11-13-20)19-18(2,3)4;1-17(2,3)18-15-9-11-19(12-10-15)13-14-5-7-16(20-4)8-6-14;1-17(2,3)18-16-11-9-15(10-12-16)13-14-7-5-4-6-8-14;1-5-16-11(15)14-8-6-10(7-9-14)13-12(2,3)4;1-9-6-5-7-10(8-9)12-11(2,3)4/h4-13,21-22,24H,14-18H2,1-3H3;6-9,16,19H,10-14H2,1-5H3;4-7,15-16,19H,8-13H2,1-3H3;5-9,15,17,19H,10-14H2,1-4H3;5-8,15,18H,9-13H2,1-4H3;4-8,15-16,18H,9-13H2,1-3H3;10,13H,5-9H2,1-4H3;5-8,12H,1-4H3 |
| InChIKey | GACVTZMUNRASKN-UHFFFAOYSA-N |
| XLogP | 26.69 |
| TPSA | 163.68 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 153 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2102.31 |
| LogP ≤ 5 | 26.69 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'} |
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