C120H175F7N11O4P — CID 158450268
1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 158450268) has the molecular formula C120H175F7N11O4P and a molecular weight of 1999.75 g/mol. Its IUPAC name is 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol.
| Compound Name | 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol |
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| PubChem CID | 158450268 |
| Molecular Formula | C120H175F7N11O4P |
| Molecular Weight | 1999.75 g/mol |
| Exact Mass | 1998.35 |
| IUPAC Name | 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol |
| SMILES | CC(C)(C)c1cc(CN2CC[C@@H](O)C2)cc(C(F)(F)F)c1.CC(C)(C)c1cc(F)cc(Cn2ccnc2)c1.CC(C)(C)c1ccc(N2CCN(CCP(C)(C)=O)CC2)cc1.CC(C)(C)c1ccc(N2CCNCC2=O)cc1.CN(C)[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(C(F)(F)F)c2)C1.CN1CCN(Cc2cc(C3CC3)cc(C(C)(C)C)c2)CC1.Cc1ccc(OCc2cccc(C(C)(C)C)c2)c(C(C)C)c1 |
| InChI | InChI=1S/C21H28O.C19H30N2.C18H27F3N2.C18H31N2OP.C16H22F3NO.C14H17FN2.C14H20N2O/c1-15(2)19-12-16(3)10-11-20(19)22-14-17-8-7-9-18(13-17)21(4,5)6;1-19(2,3)18-12-15(11-17(13-18)16-5-6-16)14-21-9-7-20(4)8-10-21;1-17(2,3)14-8-13(9-15(10-14)18(19,20)21)11-23-7-6-16(12-23)22(4)5;1-18(2,3)16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-22(4,5)21;1-15(2,3)12-6-11(7-13(8-12)16(17,18)19)9-20-5-4-14(21)10-20;1-14(2,3)12-6-11(7-13(15)8-12)9-17-5-4-16-10-17;1-14(2,3)11-4-6-12(7-5-11)16-9-8-15-10-13(16)17/h7-13,15H,14H2,1-6H3;11-13,16H,5-10,14H2,1-4H3;8-10,16H,6-7,11-12H2,1-5H3;6-9H,10-15H2,1-5H3;6-8,14,21H,4-5,9-10H2,1-3H3;4-8,10H,9H2,1-3H3;4-7,15H,8-10H2,1-3H3/t;;16-;;14-;;/m..1.1../s1 |
| InChIKey | HDWVYTJIOFHAFW-WYOLSHKBSA-N |
| XLogP | 26.33 |
| TPSA | 119.37 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 143 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1999.75 |
| LogP ≤ 5 | 26.33 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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