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 158846898) has the molecular formula C48H108N8O
and a molecular weight of 813.45 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 |
|---|
| PubChem CID | 158846898 |
|---|
| Molecular Formula | C48H108N8O |
|---|
| Molecular Weight | 813.45 g/mol |
|---|
| Exact Mass | 812.86 |
|---|
| 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 |
|---|
| SMILES | C.C.C.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CCN1CCN(C(C)C)CC1 |
|---|
| InChI | InChI=1S/C12H24N2O.C9H20N2.C8H18N2.2C8H17N.3CH4/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;3*1H4 |
|---|
| InChIKey | IYYJCEFFEDZAFV-UHFFFAOYSA-N |
|---|
| XLogP | 8.54 |
|---|
| TPSA | 35.15 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 57 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 813.45 |
| LogP ≤ 5 | 8.54 |
| 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
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
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 158846898) 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.C.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 IYYJCEFFEDZAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C9H20N2.C8H18N2.2C8H17N.3CH4/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;3*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 813.45 g/mol, XLogP of 8.54, 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 158846898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).