About methane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine
methane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine (PubChem CID 158729142) has the molecular formula C33H70N6O
and a molecular weight of 566.96 g/mol. Its IUPAC name is methane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine.
Molecular Properties
| Compound Name | methane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine |
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| PubChem CID | 158729142 |
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| Molecular Formula | C33H70N6O |
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| Molecular Weight | 566.96 g/mol |
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| Exact Mass | 566.56 |
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| IUPAC Name | methane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine |
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| SMILES | C.C.CN1CCC(N2CCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCOCC2)CC1 |
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| InChI | InChI=1S/C11H22N2.C10H20N2O.C10H20N2.2CH4/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-11-4-2-10(3-5-11)12-6-8-13-9-7-12;1-11-8-4-10(5-9-11)12-6-2-3-7-12;;/h11H,2-10H2,1H3;10H,2-9H2,1H3;10H,2-9H2,1H3;2*1H4 |
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| InChIKey | IKWNXAIZVQPTDV-UHFFFAOYSA-N |
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| XLogP | 4.43 |
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| TPSA | 28.67 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 566.96 |
| LogP ≤ 5 | 4.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of methane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of methane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine (CID 158729142) is methane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for methane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for methane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine is C.C.CN1CCC(N2CCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCOCC2)CC1.
What is the InChIKey of methane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is IKWNXAIZVQPTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C10H20N2O.C10H20N2.2CH4/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-11-4-2-10(3-5-11)12-6-8-13-9-7-12;1-11-8-4-10(5-9-11)12-6-2-3-7-12;;/h11H,2-10H2,1H3;10H,2-9H2,1H3;10H,2-9H2,1H3;2*1H4.
What are the key properties of methane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine?
methane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 566.96 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 158729142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).