About 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);bis(1-propan-2-ylpiperidine)
1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);bis(1-propan-2-ylpiperidine) (PubChem CID 160964277) has the molecular formula C62H130N6
and a molecular weight of 959.76 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);bis(1-propan-2-ylpiperidine).
Molecular Properties
| Compound Name | 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);bis(1-propan-2-ylpiperidine) |
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| PubChem CID | 160964277 |
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| Molecular Formula | C62H130N6 |
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| Molecular Weight | 959.76 g/mol |
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| Exact Mass | 959.04 |
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| IUPAC Name | 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);bis(1-propan-2-ylpiperidine) |
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| SMILES | CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC1CCN(C(C)C)CC1.CCN1CCC(C(C)C)CC1.CCN1CCN(C(C)C)CC1 |
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| InChI | InChI=1S/C10H21N.C9H20N2.C9H19N.2C9H18.2C8H17N/c1-4-11-7-5-10(6-8-11)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;4*1-8(2)9-6-4-3-5-7-9/h9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;2*8H,3-7H2,1-2H3 |
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| InChIKey | SXKGWIMWDQSLFC-UHFFFAOYSA-N |
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| XLogP | 15.74 |
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| TPSA | 19.44 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 68 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 959.76 |
| LogP ≤ 5 | 15.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);bis(1-propan-2-ylpiperidine) with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);bis(1-propan-2-ylpiperidine)?
The IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);bis(1-propan-2-ylpiperidine) (CID 160964277) is 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);bis(1-propan-2-ylpiperidine).
What is the SMILES notation for 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);bis(1-propan-2-ylpiperidine)?
The canonical SMILES for 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);bis(1-propan-2-ylpiperidine) is CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC1CCN(C(C)C)CC1.CCN1CCC(C(C)C)CC1.CCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);bis(1-propan-2-ylpiperidine)?
The InChIKey is SXKGWIMWDQSLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H20N2.C9H19N.2C9H18.2C8H17N/c1-4-11-7-5-10(6-8-11)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;4*1-8(2)9-6-4-3-5-7-9/h9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;2*8H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);bis(1-propan-2-ylpiperidine)?
1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);bis(1-propan-2-ylpiperidine) has a molecular weight of 959.76 g/mol, XLogP of 15.74, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);bis(1-propan-2-ylpiperidine) is sourced from PubChem (CID 160964277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).