About bis(1-(2-methoxyethyl)piperidine);1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(2-methoxyethyl)pyrrolidine;1-methoxy-4-methylpentane;1-methoxypropane
bis(1-(2-methoxyethyl)piperidine);1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(2-methoxyethyl)pyrrolidine;1-methoxy-4-methylpentane;1-methoxypropane (PubChem CID 157489630) has the molecular formula C44H97N5O6
and a molecular weight of 792.29 g/mol. Its IUPAC name is bis(1-(2-methoxyethyl)piperidine);1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(2-methoxyethyl)pyrrolidine;1-methoxy-4-methylpentane;1-methoxypropane.
Molecular Properties
| Compound Name | bis(1-(2-methoxyethyl)piperidine);1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(2-methoxyethyl)pyrrolidine;1-methoxy-4-methylpentane;1-methoxypropane |
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| PubChem CID | 157489630 |
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| Molecular Formula | C44H97N5O6 |
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| Molecular Weight | 792.29 g/mol |
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| Exact Mass | 791.74 |
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| IUPAC Name | bis(1-(2-methoxyethyl)piperidine);1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(2-methoxyethyl)pyrrolidine;1-methoxy-4-methylpentane;1-methoxypropane |
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| SMILES | CCCOC.COCCCC(C)C.COCCN1CCCC1.COCCN1CCCCC1.COCCN1CCCCC1.COCCN1CCN(C(C)C)CC1 |
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| InChI | InChI=1S/C10H22N2O.2C8H17NO.C7H15NO.C7H16O.C4H10O/c1-10(2)12-6-4-11(5-7-12)8-9-13-3;2*1-10-8-7-9-5-3-2-4-6-9;1-9-7-6-8-4-2-3-5-8;1-7(2)5-4-6-8-3;1-3-4-5-2/h10H,4-9H2,1-3H3;2*2-8H2,1H3;2-7H2,1H3;7H,4-6H2,1-3H3;3-4H2,1-2H3 |
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| InChIKey | BXCRMJHJFMUGFX-UHFFFAOYSA-N |
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| XLogP | 6.74 |
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| TPSA | 71.58 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 19 |
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| Heavy Atoms | 55 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 792.29 |
| LogP ≤ 5 | 6.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Analyze bis(1-(2-methoxyethyl)piperidine);1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(2-methoxyethyl)pyrrolidine;1-methoxy-4-methylpentane;1-methoxypropane with MolForge
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Frequently Asked Questions
What is the IUPAC name of bis(1-(2-methoxyethyl)piperidine);1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(2-methoxyethyl)pyrrolidine;1-methoxy-4-methylpentane;1-methoxypropane?
The IUPAC name of bis(1-(2-methoxyethyl)piperidine);1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(2-methoxyethyl)pyrrolidine;1-methoxy-4-methylpentane;1-methoxypropane (CID 157489630) is bis(1-(2-methoxyethyl)piperidine);1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(2-methoxyethyl)pyrrolidine;1-methoxy-4-methylpentane;1-methoxypropane.
What is the SMILES notation for bis(1-(2-methoxyethyl)piperidine);1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(2-methoxyethyl)pyrrolidine;1-methoxy-4-methylpentane;1-methoxypropane?
The canonical SMILES for bis(1-(2-methoxyethyl)piperidine);1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(2-methoxyethyl)pyrrolidine;1-methoxy-4-methylpentane;1-methoxypropane is CCCOC.COCCCC(C)C.COCCN1CCCC1.COCCN1CCCCC1.COCCN1CCCCC1.COCCN1CCN(C(C)C)CC1.
What is the InChIKey of bis(1-(2-methoxyethyl)piperidine);1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(2-methoxyethyl)pyrrolidine;1-methoxy-4-methylpentane;1-methoxypropane?
The InChIKey is BXCRMJHJFMUGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.2C8H17NO.C7H15NO.C7H16O.C4H10O/c1-10(2)12-6-4-11(5-7-12)8-9-13-3;2*1-10-8-7-9-5-3-2-4-6-9;1-9-7-6-8-4-2-3-5-8;1-7(2)5-4-6-8-3;1-3-4-5-2/h10H,4-9H2,1-3H3;2*2-8H2,1H3;2-7H2,1H3;7H,4-6H2,1-3H3;3-4H2,1-2H3.
What are the key properties of bis(1-(2-methoxyethyl)piperidine);1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(2-methoxyethyl)pyrrolidine;1-methoxy-4-methylpentane;1-methoxypropane?
bis(1-(2-methoxyethyl)piperidine);1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(2-methoxyethyl)pyrrolidine;1-methoxy-4-methylpentane;1-methoxypropane has a molecular weight of 792.29 g/mol, XLogP of 6.74, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(2-methoxyethyl)piperidine);1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(2-methoxyethyl)pyrrolidine;1-methoxy-4-methylpentane;1-methoxypropane is sourced from PubChem (CID 157489630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).