About 1,2-bis(prop-2-enyl)piperidine
1,2-bis(prop-2-enyl)piperidine (PubChem CID 54097924) has the molecular formula C11H19N
and a molecular weight of 165.28 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)piperidine.
Molecular Properties
| Compound Name | 1,2-bis(prop-2-enyl)piperidine |
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| PubChem CID | 54097924 |
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| Molecular Formula | C11H19N |
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| Molecular Weight | 165.28 g/mol |
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| Exact Mass | 165.15 |
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| IUPAC Name | 1,2-bis(prop-2-enyl)piperidine |
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| SMILES | C=CCC1CCCCN1CC=C |
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| InChI | InChI=1S/C11H19N/c1-3-7-11-8-5-6-10-12(11)9-4-2/h3-4,11H,1-2,5-10H2 |
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| InChIKey | MYLSZXQPNJANRI-UHFFFAOYSA-N |
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| XLogP | 2.60 |
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| TPSA | 3.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 12 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 165.28 |
| LogP ≤ 5 | 2.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1,2-bis(prop-2-enyl)piperidine?
The IUPAC name of 1,2-bis(prop-2-enyl)piperidine (CID 54097924) is 1,2-bis(prop-2-enyl)piperidine.
What is the SMILES notation for 1,2-bis(prop-2-enyl)piperidine?
The canonical SMILES for 1,2-bis(prop-2-enyl)piperidine is C=CCC1CCCCN1CC=C.
What is the InChIKey of 1,2-bis(prop-2-enyl)piperidine?
The InChIKey is MYLSZXQPNJANRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-7-11-8-5-6-10-12(11)9-4-2/h3-4,11H,1-2,5-10H2.
What are the key properties of 1,2-bis(prop-2-enyl)piperidine?
1,2-bis(prop-2-enyl)piperidine has a molecular weight of 165.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)piperidine is sourced from PubChem (CID 54097924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).