About 1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol
1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol (PubChem CID 159754122) has the molecular formula C38H76N6O2
and a molecular weight of 649.07 g/mol. Its IUPAC name is 1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol.
Molecular Properties
| Compound Name | 1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol |
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| PubChem CID | 159754122 |
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| Molecular Formula | C38H76N6O2 |
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| Molecular Weight | 649.07 g/mol |
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| Exact Mass | 648.60 |
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| IUPAC Name | 1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol |
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| SMILES | CC(C)N1CCC(N2CCC(O)C2)CC1.CC(C)N1CCC(N2CCCCCC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1 |
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| InChI | InChI=1S/C14H28N2.2C12H24N2O/c1-13(2)15-11-7-14(8-12-15)16-9-5-3-4-6-10-16;1-10(2)13-6-3-11(4-7-13)14-8-5-12(15)9-14;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14/h13-14H,3-12H2,1-2H3;10-12,15H,3-9H2,1-2H3;11-12H,3-10H2,1-2H3 |
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| InChIKey | NEAMFLKVXPCRLU-UHFFFAOYSA-N |
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| XLogP | 4.85 |
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| TPSA | 48.90 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 649.07 |
| LogP ≤ 5 | 4.85 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol (CID 159754122) is 1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol is CC(C)N1CCC(N2CCC(O)C2)CC1.CC(C)N1CCC(N2CCCCCC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol?
The InChIKey is NEAMFLKVXPCRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.2C12H24N2O/c1-13(2)15-11-7-14(8-12-15)16-9-5-3-4-6-10-16;1-10(2)13-6-3-11(4-7-13)14-8-5-12(15)9-14;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14/h13-14H,3-12H2,1-2H3;10-12,15H,3-9H2,1-2H3;11-12H,3-10H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol?
1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol has a molecular weight of 649.07 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 159754122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).