About 1-cyclopentyl-2-ethyl-4-methylpiperidine
1-cyclopentyl-2-ethyl-4-methylpiperidine (PubChem CID 59900610) has the molecular formula C13H25N
and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-ethyl-4-methylpiperidine.
Molecular Properties
| Compound Name | 1-cyclopentyl-2-ethyl-4-methylpiperidine |
| PubChem CID | 59900610 |
| Molecular Formula | C13H25N |
| Molecular Weight | 195.35 g/mol |
| Exact Mass | 195.20 |
| IUPAC Name | 1-cyclopentyl-2-ethyl-4-methylpiperidine |
| SMILES | CCC1CC(C)CCN1C1CCCC1 |
| InChI | InChI=1S/C13H25N/c1-3-12-10-11(2)8-9-14(12)13-6-4-5-7-13/h11-13H,3-10H2,1-2H3 |
| InChIKey | ZZDQWWRQBOUQDU-UHFFFAOYSA-N |
| XLogP | 3.44 |
| TPSA | 3.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 195.35 |
| LogP ≤ 5 | 3.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 1-cyclopentyl-2-ethyl-4-methylpiperidine?
The IUPAC name of 1-cyclopentyl-2-ethyl-4-methylpiperidine (CID 59900610) is 1-cyclopentyl-2-ethyl-4-methylpiperidine.
What is the SMILES notation for 1-cyclopentyl-2-ethyl-4-methylpiperidine?
The canonical SMILES for 1-cyclopentyl-2-ethyl-4-methylpiperidine is CCC1CC(C)CCN1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-ethyl-4-methylpiperidine?
The InChIKey is ZZDQWWRQBOUQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-3-12-10-11(2)8-9-14(12)13-6-4-5-7-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-ethyl-4-methylpiperidine?
1-cyclopentyl-2-ethyl-4-methylpiperidine has a molecular weight of 195.35 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-ethyl-4-methylpiperidine is sourced from PubChem (CID 59900610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).