About 1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine
1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine (PubChem CID 62212520) has the molecular formula C15H29N3
and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine.
Molecular Properties
| Compound Name | 1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine |
| PubChem CID | 62212520 |
| Molecular Formula | C15H29N3 |
| Molecular Weight | 251.42 g/mol |
| Exact Mass | 251.24 |
| IUPAC Name | 1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine |
| SMILES | C(CC1CCNCC1)CN1CCN(C2CC2)CC1 |
| InChI | InChI=1S/C15H29N3/c1(2-14-5-7-16-8-6-14)9-17-10-12-18(13-11-17)15-3-4-15/h14-16H,1-13H2 |
| InChIKey | KNCJDADDASGJKG-UHFFFAOYSA-N |
| XLogP | 1.55 |
| TPSA | 18.51 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 251.42 |
| LogP ≤ 5 | 1.55 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine?
The IUPAC name of 1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine (CID 62212520) is 1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine.
What is the SMILES notation for 1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine?
The canonical SMILES for 1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine is C(CC1CCNCC1)CN1CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine?
The InChIKey is KNCJDADDASGJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1(2-14-5-7-16-8-6-14)9-17-10-12-18(13-11-17)15-3-4-15/h14-16H,1-13H2.
What are the key properties of 1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine?
1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine has a molecular weight of 251.42 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine is sourced from PubChem (CID 62212520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).