About azanide;nickel(2+);nickel(3+);piperidin-1-id-4-ylmethyl-[4-(2H-pyridin-1-id-4-ylmethylazaniumyl)butyl]azanium;tetrahydrate
azanide;nickel(2+);nickel(3+);piperidin-1-id-4-ylmethyl-[4-(2H-pyridin-1-id-4-ylmethylazaniumyl)butyl]azanium;tetrahydrate (PubChem CID 5232195) has the molecular formula C16H40N5Ni2O4+4
and a molecular weight of 483.91 g/mol. Its IUPAC name is azanide;nickel(2+);nickel(3+);piperidin-1-id-4-ylmethyl-[4-(2H-pyridin-1-id-4-ylmethylazaniumyl)butyl]azanium;tetrahydrate.
Molecular Properties
| Compound Name | azanide;nickel(2+);nickel(3+);piperidin-1-id-4-ylmethyl-[4-(2H-pyridin-1-id-4-ylmethylazaniumyl)butyl]azanium;tetrahydrate |
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| PubChem CID | 5232195 |
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| Molecular Formula | C16H40N5Ni2O4+4 |
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| Molecular Weight | 483.91 g/mol |
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| Exact Mass | 482.18 |
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| IUPAC Name | azanide;nickel(2+);nickel(3+);piperidin-1-id-4-ylmethyl-[4-(2H-pyridin-1-id-4-ylmethylazaniumyl)butyl]azanium;tetrahydrate |
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| SMILES | C1=CC(C[NH2+]CCCC[NH2+]CC2CC[N-]CC2)=CC[N-]1.O.O.O.O.[NH2-].[Ni+2].[Ni+3] |
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| InChI | InChI=1S/C16H28N4.H2N.2Ni.4H2O/c1(7-19-13-15-3-9-17-10-4-15)2-8-20-14-16-5-11-18-12-6-16;;;;;;;/h3-4,9,16,19-20H,1-2,5-8,10-14H2;1H2;;;4*1H2/q-2;-1;+2;+3;;;;/p+2 |
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| InChIKey | PYQMRQISYSHMBJ-UHFFFAOYSA-P |
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| XLogP | -2.08 |
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| TPSA | 220.92 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 27 |
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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 | 483.91 |
| LogP ≤ 5 | -2.08 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 0 |
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 azanide;nickel(2+);nickel(3+);piperidin-1-id-4-ylmethyl-[4-(2H-pyridin-1-id-4-ylmethylazaniumyl)butyl]azanium;tetrahydrate?
The IUPAC name of azanide;nickel(2+);nickel(3+);piperidin-1-id-4-ylmethyl-[4-(2H-pyridin-1-id-4-ylmethylazaniumyl)butyl]azanium;tetrahydrate (CID 5232195) is azanide;nickel(2+);nickel(3+);piperidin-1-id-4-ylmethyl-[4-(2H-pyridin-1-id-4-ylmethylazaniumyl)butyl]azanium;tetrahydrate.
What is the SMILES notation for azanide;nickel(2+);nickel(3+);piperidin-1-id-4-ylmethyl-[4-(2H-pyridin-1-id-4-ylmethylazaniumyl)butyl]azanium;tetrahydrate?
The canonical SMILES for azanide;nickel(2+);nickel(3+);piperidin-1-id-4-ylmethyl-[4-(2H-pyridin-1-id-4-ylmethylazaniumyl)butyl]azanium;tetrahydrate is C1=CC(C[NH2+]CCCC[NH2+]CC2CC[N-]CC2)=CC[N-]1.O.O.O.O.[NH2-].[Ni+2].[Ni+3].
What is the InChIKey of azanide;nickel(2+);nickel(3+);piperidin-1-id-4-ylmethyl-[4-(2H-pyridin-1-id-4-ylmethylazaniumyl)butyl]azanium;tetrahydrate?
The InChIKey is PYQMRQISYSHMBJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H28N4.H2N.2Ni.4H2O/c1(7-19-13-15-3-9-17-10-4-15)2-8-20-14-16-5-11-18-12-6-16;;;;;;;/h3-4,9,16,19-20H,1-2,5-8,10-14H2;1H2;;;4*1H2/q-2;-1;+2;+3;;;;/p+2.
What are the key properties of azanide;nickel(2+);nickel(3+);piperidin-1-id-4-ylmethyl-[4-(2H-pyridin-1-id-4-ylmethylazaniumyl)butyl]azanium;tetrahydrate?
azanide;nickel(2+);nickel(3+);piperidin-1-id-4-ylmethyl-[4-(2H-pyridin-1-id-4-ylmethylazaniumyl)butyl]azanium;tetrahydrate has a molecular weight of 483.91 g/mol, XLogP of -2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;nickel(2+);nickel(3+);piperidin-1-id-4-ylmethyl-[4-(2H-pyridin-1-id-4-ylmethylazaniumyl)butyl]azanium;tetrahydrate is sourced from PubChem (CID 5232195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).