About [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone
[4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone (PubChem CID 146418951) has the molecular formula C32H37FN4O2
and a molecular weight of 528.67 g/mol. Its IUPAC name is [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone.
Molecular Properties
| Compound Name | [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone |
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| PubChem CID | 146418951 |
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| Molecular Formula | C32H37FN4O2 |
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| Molecular Weight | 528.67 g/mol |
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| Exact Mass | 528.29 |
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| IUPAC Name | [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone |
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| SMILES | CN1CCN(CCCOc2ccc(F)cc2C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)CC1 |
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| InChI | InChI=1S/C32H37FN4O2/c1-34-14-16-35(17-15-34)13-6-22-39-30-12-11-24(33)23-29(30)32(38)37-20-18-36(19-21-37)31-27-9-4-2-7-25(27)26-8-3-5-10-28(26)31/h2-5,7-12,23,31H,6,13-22H2,1H3 |
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| InChIKey | FCFURNNKIJBCJE-UHFFFAOYSA-N |
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| XLogP | 4.37 |
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| TPSA | 39.26 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 528.67 |
| LogP ≤ 5 | 4.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone?
The IUPAC name of [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone (CID 146418951) is [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone.
What is the SMILES notation for [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone?
The canonical SMILES for [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone is CN1CCN(CCCOc2ccc(F)cc2C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)CC1.
What is the InChIKey of [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone?
The InChIKey is FCFURNNKIJBCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN4O2/c1-34-14-16-35(17-15-34)13-6-22-39-30-12-11-24(33)23-29(30)32(38)37-20-18-36(19-21-37)31-27-9-4-2-7-25(27)26-8-3-5-10-28(26)31/h2-5,7-12,23,31H,6,13-22H2,1H3.
What are the key properties of [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone?
[4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone has a molecular weight of 528.67 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone is sourced from PubChem (CID 146418951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).