1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine
C156H239F5N26O — CID 160756588
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine
SMILESCC(C)N1CCN(C2=CNC3C=CC=CC23)CC1.CC(C)N1CCN(C2=c3ccccc3=NC2)CC1.CC(C)N1CCN(c2ccccc2OC(F)(F)F)CC1.CC(C)N1CCN(c2ncccn2)CC1.Cc1ccc(C)c(N2CCN(C(C)C)CC2)c1.Cc1ccc(N2CCN(C(C)C)CC2)c(C)c1F.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)C)CC2)cc1F.Cc1cccc(N2CCN(C(C)C)CC2)c1.Cc1cccc(N2CCN(C(C)C)CC2)c1C.Cc1ccccc1N1CCN(C(C)C)CC1
InChIInChI=1S/C15H23FN2.C15H23N3.C15H21N3.2C15H24N2.C14H19F3N2O.C14H21FN2.3C14H22N2.C11H18N4/c1-11(2)17-7-9-18(10-8-17)14-6-5-12(3)15(16)13(14)4;2*1-12(2)17-7-9-18(10-8-17)15-11-16-14-6-4-3-5-13(14)15;1-12(2)16-7-9-17(10-8-16)15-11-13(3)5-6-14(15)4;1-12(2)16-8-10-17(11-9-16)15-7-5-6-13(3)14(15)4;1-11(2)18-7-9-19(10-8-18)12-5-3-4-6-13(12)20-14(15,16)17;1-11(2)16-6-8-17(9-7-16)13-5-4-12(3)14(15)10-13;1-12(2)15-8-10-16(11-9-15)14-6-4-13(3)5-7-14;1-12(2)15-7-9-16(10-8-15)14-6-4-5-13(3)11-14;1-12(2)15-8-10-16(11-9-15)14-7-5-4-6-13(14)3;1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11/h5-6,11H,7-10H2,1-4H3;3-6,11-14,16H,7-10H2,1-2H3;3-6,12H,7-11H2,1-2H3;5-6,11-12H,7-10H2,1-4H3;5-7,12H,8-11H2,1-4H3;3-6,11H,7-10H2,1-2H3;4-5,10-11H,6-9H2,1-3H3;4-7,12H,8-11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-5,10H,6-9H2,1-2H3
InChIKeyRXNABRROBGOTEU-UHFFFAOYSA-N
MW2589.80 g/mol
LogP25.03
Rot. Bonds23
About 1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine
1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine (PubChem CID 160756588) has the molecular formula C156H239F5N26O and a molecular weight of 2589.80 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine.
Molecular Properties
| Compound Name | 1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine |
|---|---|
| PubChem CID | 160756588 |
| Molecular Formula | C156H239F5N26O |
| Molecular Weight | 2589.80 g/mol |
| Exact Mass | 2587.94 |
| IUPAC Name | 1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine |
| SMILES | CC(C)N1CCN(C2=CNC3C=CC=CC23)CC1.CC(C)N1CCN(C2=c3ccccc3=NC2)CC1.CC(C)N1CCN(c2ccccc2OC(F)(F)F)CC1.CC(C)N1CCN(c2ncccn2)CC1.Cc1ccc(C)c(N2CCN(C(C)C)CC2)c1.Cc1ccc(N2CCN(C(C)C)CC2)c(C)c1F.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)C)CC2)cc1F.Cc1cccc(N2CCN(C(C)C)CC2)c1.Cc1cccc(N2CCN(C(C)C)CC2)c1C.Cc1ccccc1N1CCN(C(C)C)CC1 |
| InChI | InChI=1S/C15H23FN2.C15H23N3.C15H21N3.2C15H24N2.C14H19F3N2O.C14H21FN2.3C14H22N2.C11H18N4/c1-11(2)17-7-9-18(10-8-17)14-6-5-12(3)15(16)13(14)4;2*1-12(2)17-7-9-18(10-8-17)15-11-16-14-6-4-3-5-13(14)15;1-12(2)16-7-9-17(10-8-16)15-11-13(3)5-6-14(15)4;1-12(2)16-8-10-17(11-9-16)15-7-5-6-13(3)14(15)4;1-11(2)18-7-9-19(10-8-18)12-5-3-4-6-13(12)20-14(15,16)17;1-11(2)16-6-8-17(9-7-16)13-5-4-12(3)14(15)10-13;1-12(2)15-8-10-16(11-9-15)14-6-4-13(3)5-7-14;1-12(2)15-7-9-16(10-8-15)14-6-4-5-13(3)11-14;1-12(2)15-8-10-16(11-9-15)14-7-5-4-6-13(14)3;1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11/h5-6,11H,7-10H2,1-4H3;3-6,11-14,16H,7-10H2,1-2H3;3-6,12H,7-11H2,1-2H3;5-6,11-12H,7-10H2,1-4H3;5-7,12H,8-11H2,1-4H3;3-6,11H,7-10H2,1-2H3;4-5,10-11H,6-9H2,1-3H3;4-7,12H,8-11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-5,10H,6-9H2,1-2H3 |
| InChIKey | RXNABRROBGOTEU-UHFFFAOYSA-N |
| XLogP | 25.03 |
| TPSA | 130.68 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 188 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2589.80 |
| LogP ≤ 5 | 25.03 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 27 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine (CID 160756588) is 1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine is CC(C)N1CCN(C2=CNC3C=CC=CC23)CC1.CC(C)N1CCN(C2=c3ccccc3=NC2)CC1.CC(C)N1CCN(c2ccccc2OC(F)(F)F)CC1.CC(C)N1CCN(c2ncccn2)CC1.Cc1ccc(C)c(N2CCN(C(C)C)CC2)c1.Cc1ccc(N2CCN(C(C)C)CC2)c(C)c1F.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)C)CC2)cc1F.Cc1cccc(N2CCN(C(C)C)CC2)c1.Cc1cccc(N2CCN(C(C)C)CC2)c1C.Cc1ccccc1N1CCN(C(C)C)CC1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine?
The InChIKey is RXNABRROBGOTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2.C15H23N3.C15H21N3.2C15H24N2.C14H19F3N2O.C14H21FN2.3C14H22N2.C11H18N4/c1-11(2)17-7-9-18(10-8-17)14-6-5-12(3)15(16)13(14)4;2*1-12(2)17-7-9-18(10-8-17)15-11-16-14-6-4-3-5-13(14)15;1-12(2)16-7-9-17(10-8-16)15-11-13(3)5-6-14(15)4;1-12(2)16-8-10-17(11-9-16)15-7-5-6-13(3)14(15)4;1-11(2)18-7-9-19(10-8-18)12-5-3-4-6-13(12)20-14(15,16)17;1-11(2)16-6-8-17(9-7-16)13-5-4-12(3)14(15)10-13;1-12(2)15-8-10-16(11-9-15)14-6-4-13(3)5-7-14;1-12(2)15-7-9-16(10-8-15)14-6-4-5-13(3)11-14;1-12(2)15-8-10-16(11-9-15)14-7-5-4-6-13(14)3;1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11/h5-6,11H,7-10H2,1-4H3;3-6,11-14,16H,7-10H2,1-2H3;3-6,12H,7-11H2,1-2H3;5-6,11-12H,7-10H2,1-4H3;5-7,12H,8-11H2,1-4H3;3-6,11H,7-10H2,1-2H3;4-5,10-11H,6-9H2,1-3H3;4-7,12H,8-11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-5,10H,6-9H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine?
1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine has a molecular weight of 2589.80 g/mol, XLogP of 25.03, 23 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-propan-2-ylpiperazine;1-(2,5-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-2,4-dimethylphenyl)-4-propan-2-ylpiperazine;1-(3-fluoro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2-methylphenyl)-4-propan-2-ylpiperazine;1-(3-methylphenyl)-4-propan-2-ylpiperazine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;3-(4-propan-2-ylpiperazin-1-yl)-3a,7a-dihydro-1H-indole;3-(4-propan-2-ylpiperazin-1-yl)-2H-indole;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-[2-(trifluoromethoxy)phenyl]piperazine is sourced from PubChem (CID 160756588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 160756588 — identifiers, structure, computed properties (public domain)
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