About N'-cyclopropyl-4-[4-[4-(N'-cyclopropylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride
N'-cyclopropyl-4-[4-[4-(N'-cyclopropylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride (PubChem CID 15954188) has the molecular formula C24H32Cl2N6
and a molecular weight of 475.47 g/mol. Its IUPAC name is N'-cyclopropyl-4-[4-[4-(N'-cyclopropylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride.
Molecular Properties
| Compound Name | N'-cyclopropyl-4-[4-[4-(N'-cyclopropylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride |
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| PubChem CID | 15954188 |
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| Molecular Formula | C24H32Cl2N6 |
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| Molecular Weight | 475.47 g/mol |
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| Exact Mass | 474.21 |
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| IUPAC Name | N'-cyclopropyl-4-[4-[4-(N'-cyclopropylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride |
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| SMILES | Cl.Cl.N/C(=N\C1CC1)c1ccc(N2CCN(c3ccc(/C(N)=N/C4CC4)cc3)CC2)cc1 |
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| InChI | InChI=1S/C24H30N6.2ClH/c25-23(27-19-5-6-19)17-1-9-21(10-2-17)29-13-15-30(16-14-29)22-11-3-18(4-12-22)24(26)28-20-7-8-20;;/h1-4,9-12,19-20H,5-8,13-16H2,(H2,25,27)(H2,26,28);2*1H |
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| InChIKey | KCGLOKCBCCXUTQ-UHFFFAOYSA-N |
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| XLogP | 3.59 |
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| TPSA | 83.24 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 475.47 |
| LogP ≤ 5 | 3.59 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-cyclopropyl-4-[4-[4-(N'-cyclopropylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride?
The IUPAC name of N'-cyclopropyl-4-[4-[4-(N'-cyclopropylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride (CID 15954188) is N'-cyclopropyl-4-[4-[4-(N'-cyclopropylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride.
What is the SMILES notation for N'-cyclopropyl-4-[4-[4-(N'-cyclopropylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride?
The canonical SMILES for N'-cyclopropyl-4-[4-[4-(N'-cyclopropylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride is Cl.Cl.N/C(=N\C1CC1)c1ccc(N2CCN(c3ccc(/C(N)=N/C4CC4)cc3)CC2)cc1.
What is the InChIKey of N'-cyclopropyl-4-[4-[4-(N'-cyclopropylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride?
The InChIKey is KCGLOKCBCCXUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6.2ClH/c25-23(27-19-5-6-19)17-1-9-21(10-2-17)29-13-15-30(16-14-29)22-11-3-18(4-12-22)24(26)28-20-7-8-20;;/h1-4,9-12,19-20H,5-8,13-16H2,(H2,25,27)(H2,26,28);2*1H.
What are the key properties of N'-cyclopropyl-4-[4-[4-(N'-cyclopropylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride?
N'-cyclopropyl-4-[4-[4-(N'-cyclopropylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride has a molecular weight of 475.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-4-[4-[4-(N'-cyclopropylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride is sourced from PubChem (CID 15954188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).