About 2-cyclopropyl-1-prop-2-enylpiperazine
2-cyclopropyl-1-prop-2-enylpiperazine (PubChem CID 64833735) has the molecular formula C10H18N2
and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-cyclopropyl-1-prop-2-enylpiperazine.
Molecular Properties
| Compound Name | 2-cyclopropyl-1-prop-2-enylpiperazine |
| PubChem CID | 64833735 |
| Molecular Formula | C10H18N2 |
| Molecular Weight | 166.27 g/mol |
| Exact Mass | 166.15 |
| IUPAC Name | 2-cyclopropyl-1-prop-2-enylpiperazine |
| SMILES | C=CCN1CCNCC1C1CC1 |
| InChI | InChI=1S/C10H18N2/c1-2-6-12-7-5-11-8-10(12)9-3-4-9/h2,9-11H,1,3-8H2 |
| InChIKey | OYUJRWJEWGRBAF-UHFFFAOYSA-N |
| XLogP | 0.86 |
| TPSA | 15.27 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 166.27 |
| LogP ≤ 5 | 0.86 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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 2-cyclopropyl-1-prop-2-enylpiperazine?
The IUPAC name of 2-cyclopropyl-1-prop-2-enylpiperazine (CID 64833735) is 2-cyclopropyl-1-prop-2-enylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-prop-2-enylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-prop-2-enylpiperazine is C=CCN1CCNCC1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-prop-2-enylpiperazine?
The InChIKey is OYUJRWJEWGRBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-6-12-7-5-11-8-10(12)9-3-4-9/h2,9-11H,1,3-8H2.
What are the key properties of 2-cyclopropyl-1-prop-2-enylpiperazine?
2-cyclopropyl-1-prop-2-enylpiperazine has a molecular weight of 166.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-prop-2-enylpiperazine is sourced from PubChem (CID 64833735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).