About 4-[4-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine;4-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine
4-[4-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine;4-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine (PubChem CID 158140617) has the molecular formula C32H40F2N6
and a molecular weight of 546.71 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine;4-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine.
Molecular Properties
| Compound Name | 4-[4-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine;4-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine |
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| PubChem CID | 158140617 |
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| Molecular Formula | C32H40F2N6 |
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| Molecular Weight | 546.71 g/mol |
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| Exact Mass | 546.33 |
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| IUPAC Name | 4-[4-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine;4-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine |
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| SMILES | CN1CCC(c2nc(-c3cccc(F)c3)cn2C)CC1.CN1CCC(c2ncc(-c3cccc(F)c3)n2C)CC1 |
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| InChI | InChI=1S/2C16H20FN3/c1-19-8-6-12(7-9-19)16-18-15(11-20(16)2)13-4-3-5-14(17)10-13;1-19-8-6-12(7-9-19)16-18-11-15(20(16)2)13-4-3-5-14(17)10-13/h2*3-5,10-12H,6-9H2,1-2H3 |
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| InChIKey | FTWUTRXXIIASJN-UHFFFAOYSA-N |
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| XLogP | 6.07 |
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| TPSA | 42.12 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 546.71 |
| LogP ≤ 5 | 6.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 4-[4-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine;4-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine?
The IUPAC name of 4-[4-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine;4-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine (CID 158140617) is 4-[4-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine;4-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[4-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine;4-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine?
The canonical SMILES for 4-[4-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine;4-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine is CN1CCC(c2nc(-c3cccc(F)c3)cn2C)CC1.CN1CCC(c2ncc(-c3cccc(F)c3)n2C)CC1.
What is the InChIKey of 4-[4-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine;4-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine?
The InChIKey is FTWUTRXXIIASJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H20FN3/c1-19-8-6-12(7-9-19)16-18-15(11-20(16)2)13-4-3-5-14(17)10-13;1-19-8-6-12(7-9-19)16-18-11-15(20(16)2)13-4-3-5-14(17)10-13/h2*3-5,10-12H,6-9H2,1-2H3.
What are the key properties of 4-[4-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine;4-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine?
4-[4-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine;4-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine has a molecular weight of 546.71 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine;4-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine is sourced from PubChem (CID 158140617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).