C160H242N18O6S — CID 160842984
4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)sulfonylpiperidine;1-(5-tert-butyl-2-pyridinyl)piperazine (PubChem CID 160842984) has the molecular formula C160H242N18O6S and a molecular weight of 2545.88 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)sulfonylpiperidine;1-(5-tert-butyl-2-pyridinyl)piperazine.
| Compound Name | 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)sulfonylpiperidine;1-(5-tert-butyl-2-pyridinyl)piperazine |
|---|---|
| PubChem CID | 160842984 |
| Molecular Formula | C160H242N18O6S |
| Molecular Weight | 2545.88 g/mol |
| Exact Mass | 2543.89 |
| IUPAC Name | 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)sulfonylpiperidine;1-(5-tert-butyl-2-pyridinyl)piperazine |
| SMILES | CC(C)(C)c1ccc(-n2cccn2)cc1.CC(C)(C)c1ccc(Cn2ccnc2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)nc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(OC2CCNCC2)cc1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc(S(=O)(=O)N2CCCCC2)c1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 |
| InChI | InChI=1S/C16H26N2O.C16H26N2.C15H23NO2S.2C15H23NO.C15H23N.C14H22N2.C14H18N2.C14H21NO.C13H21N3.C13H16N2/c1-16(2,3)14-4-6-15(7-5-14)18-10-8-17(9-11-18)12-13-19;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;1-15(2,3)13-8-7-9-14(12-13)19(17,18)16-10-5-4-6-11-16;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16;1-14(2,3)13-6-4-12(5-7-13)10-16-9-8-15-11-16;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-13(2,3)11-4-5-12(15-10-11)16-8-6-14-7-9-16;1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14-15/h4-7,19H,8-13H2,1-3H3;5-8H,9-13H2,1-4H3;7-9,12H,4-6,10-11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;7-10H,4-6,11-12H2,1-3H3;4-7,15H,8-11H2,1-3H3;4-9,11H,10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,10,14H,6-9H2,1-3H3;4-10H,1-3H3 |
| InChIKey | SIGRPVWQGIECOU-UHFFFAOYSA-N |
| XLogP | 31.30 |
| TPSA | 199.08 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 185 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2545.88 |
| LogP ≤ 5 | 31.30 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 23 |