About 1-ethyl-4-propan-2-ylpiperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine
1-ethyl-4-propan-2-ylpiperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine (PubChem CID 158893313) has the molecular formula C46H100N8O
and a molecular weight of 781.36 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylpiperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine.
Molecular Properties
| Compound Name | 1-ethyl-4-propan-2-ylpiperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine |
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| PubChem CID | 158893313 |
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| Molecular Formula | C46H100N8O |
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| Molecular Weight | 781.36 g/mol |
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| Exact Mass | 780.80 |
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| IUPAC Name | 1-ethyl-4-propan-2-ylpiperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine |
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| SMILES | C.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CCN1CCN(C(C)C)CC1 |
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| InChI | InChI=1S/C12H24N2O.C9H20N2.C8H18N2.2C8H17N.CH4/c1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;/h11-12H,3-10H2,1-2H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;1H4 |
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| InChIKey | JEMYEOMEWQSMGH-UHFFFAOYSA-N |
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| XLogP | 7.26 |
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| TPSA | 35.15 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 55 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 781.36 |
| LogP ≤ 5 | 7.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze 1-ethyl-4-propan-2-ylpiperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine?
The IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine (CID 158893313) is 1-ethyl-4-propan-2-ylpiperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine.
What is the SMILES notation for 1-ethyl-4-propan-2-ylpiperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine?
The canonical SMILES for 1-ethyl-4-propan-2-ylpiperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine is C.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-ethyl-4-propan-2-ylpiperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine?
The InChIKey is JEMYEOMEWQSMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C9H20N2.C8H18N2.2C8H17N.CH4/c1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;/h11-12H,3-10H2,1-2H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;1H4.
What are the key properties of 1-ethyl-4-propan-2-ylpiperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine?
1-ethyl-4-propan-2-ylpiperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine has a molecular weight of 781.36 g/mol, XLogP of 7.26, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-ylpiperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine is sourced from PubChem (CID 158893313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).