About dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate
dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate (PubChem CID 157213728) has the molecular formula C37H76K2N6O13
and a molecular weight of 891.24 g/mol. Its IUPAC name is dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate.
Molecular Properties
| Compound Name | dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate |
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| PubChem CID | 157213728 |
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| Molecular Formula | C37H76K2N6O13 |
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| Molecular Weight | 891.24 g/mol |
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| Exact Mass | 890.47 |
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| IUPAC Name | dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate |
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| SMILES | CC(C)(C)OC(=O)N1CCNCC1.COCCOCCOCCN1CCN(C(=O)OC(C)(C)C)CC1.COCCOCCOCCN1CCNCC1.O=CO[O-].[H-].[K+].[K+] |
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| InChI | InChI=1S/C16H32N2O5.C11H24N2O3.C9H18N2O2.CH2O3.2K.H/c1-16(2,3)23-15(19)18-7-5-17(6-8-18)9-10-21-13-14-22-12-11-20-4;1-14-8-9-16-11-10-15-7-6-13-4-2-12-3-5-13;1-9(2,3)13-8(12)11-6-4-10-5-7-11;2-1-4-3;;;/h5-14H2,1-4H3;12H,2-11H2,1H3;10H,4-7H2,1-3H3;1,3H;;;/q;;;;2*+1;-1/p-1 |
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| InChIKey | XCFBJKFCONXUHZ-UHFFFAOYSA-M |
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| XLogP | -5.83 |
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| TPSA | 194.36 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 17 |
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| Rotatable Bonds | 19 |
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| Heavy Atoms | 58 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 891.24 |
| LogP ≤ 5 | -5.83 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 17 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'} |
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Analyze dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate with MolForge
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Frequently Asked Questions
What is the IUPAC name of dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate?
The IUPAC name of dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate (CID 157213728) is dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate.
What is the SMILES notation for dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate?
The canonical SMILES for dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate is CC(C)(C)OC(=O)N1CCNCC1.COCCOCCOCCN1CCN(C(=O)OC(C)(C)C)CC1.COCCOCCOCCN1CCNCC1.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate?
The InChIKey is XCFBJKFCONXUHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H32N2O5.C11H24N2O3.C9H18N2O2.CH2O3.2K.H/c1-16(2,3)23-15(19)18-7-5-17(6-8-18)9-10-21-13-14-22-12-11-20-4;1-14-8-9-16-11-10-15-7-6-13-4-2-12-3-5-13;1-9(2,3)13-8(12)11-6-4-10-5-7-11;2-1-4-3;;;/h5-14H2,1-4H3;12H,2-11H2,1H3;10H,4-7H2,1-3H3;1,3H;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate?
dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate has a molecular weight of 891.24 g/mol, XLogP of -5.83, 19 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate is sourced from PubChem (CID 157213728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).