About 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine
1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine (PubChem CID 656327) has the molecular formula C21H38N6
and a molecular weight of 374.58 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine.
Molecular Properties
| Compound Name | 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine |
| PubChem CID | 656327 |
| Molecular Formula | C21H38N6 |
| Molecular Weight | 374.58 g/mol |
| Exact Mass | 374.32 |
| IUPAC Name | 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine |
| SMILES | CCCCC(c1nnnn1C1CCCC1)N1CCN(C2CCCCC2)CC1 |
| InChI | InChI=1S/C21H38N6/c1-2-3-13-20(21-22-23-24-27(21)19-11-7-8-12-19)26-16-14-25(15-17-26)18-9-5-4-6-10-18/h18-20H,2-17H2,1H3 |
| InChIKey | RDWKFJIHDGZGEQ-UHFFFAOYSA-N |
| XLogP | 3.97 |
| TPSA | 50.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 27 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 374.58 |
| LogP ≤ 5 | 3.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine (CID 656327) is 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine is CCCCC(c1nnnn1C1CCCC1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine?
The InChIKey is RDWKFJIHDGZGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N6/c1-2-3-13-20(21-22-23-24-27(21)19-11-7-8-12-19)26-16-14-25(15-17-26)18-9-5-4-6-10-18/h18-20H,2-17H2,1H3.
What are the key properties of 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine?
1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine has a molecular weight of 374.58 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine is sourced from PubChem (CID 656327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).