About 4,4-difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine)
4,4-difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine) (PubChem CID 161332701) has the molecular formula C39H82F2N6O
and a molecular weight of 689.12 g/mol. Its IUPAC name is 4,4-difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine).
Molecular Properties
| Compound Name | 4,4-difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine) |
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| PubChem CID | 161332701 |
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| Molecular Formula | C39H82F2N6O |
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| Molecular Weight | 689.12 g/mol |
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| Exact Mass | 688.65 |
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| IUPAC Name | 4,4-difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine) |
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| SMILES | CC(C)N1CCC(F)(F)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1 |
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| InChI | InChI=1S/C8H15F2N.C8H18N2.2C8H17N.C7H15NO/c1-7(2)11-5-3-8(9,10)4-6-11;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8/h7H,3-6H2,1-2H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3 |
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| InChIKey | VLQAMCTYMGGKOP-UHFFFAOYSA-N |
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| XLogP | 7.26 |
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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 | 5 |
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| Heavy Atoms | 48 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 689.12 |
| LogP ≤ 5 | 7.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 4,4-difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine)?
The IUPAC name of 4,4-difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine) (CID 161332701) is 4,4-difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine).
What is the SMILES notation for 4,4-difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine)?
The canonical SMILES for 4,4-difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine) is CC(C)N1CCC(F)(F)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.
What is the InChIKey of 4,4-difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine)?
The InChIKey is VLQAMCTYMGGKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N.C8H18N2.2C8H17N.C7H15NO/c1-7(2)11-5-3-8(9,10)4-6-11;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8/h7H,3-6H2,1-2H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 4,4-difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine)?
4,4-difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine) has a molecular weight of 689.12 g/mol, XLogP of 7.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine) is sourced from PubChem (CID 161332701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).