About (4-methylmorpholin-2-yl)methanol;1-methyl-4-(oxetan-3-yl)piperazine;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol
(4-methylmorpholin-2-yl)methanol;1-methyl-4-(oxetan-3-yl)piperazine;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol (PubChem CID 157452715) has the molecular formula C23H49N5O5
and a molecular weight of 475.68 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)methanol;1-methyl-4-(oxetan-3-yl)piperazine;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol.
Molecular Properties
| Compound Name | (4-methylmorpholin-2-yl)methanol;1-methyl-4-(oxetan-3-yl)piperazine;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol |
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| PubChem CID | 157452715 |
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| Molecular Formula | C23H49N5O5 |
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| Molecular Weight | 475.68 g/mol |
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| Exact Mass | 475.37 |
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| IUPAC Name | (4-methylmorpholin-2-yl)methanol;1-methyl-4-(oxetan-3-yl)piperazine;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol |
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| SMILES | CN1CCN(C2COC2)CC1.CN1CCN(CC(CO)CO)CC1.CN1CCOC(CO)C1 |
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| InChI | InChI=1S/C9H20N2O2.C8H16N2O.C6H13NO2/c1-10-2-4-11(5-3-10)6-9(7-12)8-13;1-9-2-4-10(5-3-9)8-6-11-7-8;1-7-2-3-9-6(4-7)5-8/h9,12-13H,2-8H2,1H3;8H,2-7H2,1H3;6,8H,2-5H2,1H3 |
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| InChIKey | BSZHDDINIKRNFL-UHFFFAOYSA-N |
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| XLogP | -2.22 |
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| TPSA | 95.35 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 33 |
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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 | 475.68 |
| LogP ≤ 5 | -2.22 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of (4-methylmorpholin-2-yl)methanol;1-methyl-4-(oxetan-3-yl)piperazine;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol?
The IUPAC name of (4-methylmorpholin-2-yl)methanol;1-methyl-4-(oxetan-3-yl)piperazine;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol (CID 157452715) is (4-methylmorpholin-2-yl)methanol;1-methyl-4-(oxetan-3-yl)piperazine;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol.
What is the SMILES notation for (4-methylmorpholin-2-yl)methanol;1-methyl-4-(oxetan-3-yl)piperazine;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol?
The canonical SMILES for (4-methylmorpholin-2-yl)methanol;1-methyl-4-(oxetan-3-yl)piperazine;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol is CN1CCN(C2COC2)CC1.CN1CCN(CC(CO)CO)CC1.CN1CCOC(CO)C1.
What is the InChIKey of (4-methylmorpholin-2-yl)methanol;1-methyl-4-(oxetan-3-yl)piperazine;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol?
The InChIKey is BSZHDDINIKRNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2.C8H16N2O.C6H13NO2/c1-10-2-4-11(5-3-10)6-9(7-12)8-13;1-9-2-4-10(5-3-9)8-6-11-7-8;1-7-2-3-9-6(4-7)5-8/h9,12-13H,2-8H2,1H3;8H,2-7H2,1H3;6,8H,2-5H2,1H3.
What are the key properties of (4-methylmorpholin-2-yl)methanol;1-methyl-4-(oxetan-3-yl)piperazine;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol?
(4-methylmorpholin-2-yl)methanol;1-methyl-4-(oxetan-3-yl)piperazine;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol has a molecular weight of 475.68 g/mol, XLogP of -2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)methanol;1-methyl-4-(oxetan-3-yl)piperazine;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 157452715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).