About 5-methyl-2-(3-methylpentyl)piperidine
5-methyl-2-(3-methylpentyl)piperidine (PubChem CID 112556928) has the molecular formula C12H25N
and a molecular weight of 183.34 g/mol. Its IUPAC name is 5-methyl-2-(3-methylpentyl)piperidine.
Molecular Properties
| Compound Name | 5-methyl-2-(3-methylpentyl)piperidine |
| PubChem CID | 112556928 |
| Molecular Formula | C12H25N |
| Molecular Weight | 183.34 g/mol |
| Exact Mass | 183.20 |
| IUPAC Name | 5-methyl-2-(3-methylpentyl)piperidine |
| SMILES | CCC(C)CCC1CCC(C)CN1 |
| InChI | InChI=1S/C12H25N/c1-4-10(2)5-7-12-8-6-11(3)9-13-12/h10-13H,4-9H2,1-3H3 |
| InChIKey | WWQUKXBSCYQZTA-UHFFFAOYSA-N |
| XLogP | 3.20 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 183.34 |
| LogP ≤ 5 | 3.20 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 5-methyl-2-(3-methylpentyl)piperidine?
The IUPAC name of 5-methyl-2-(3-methylpentyl)piperidine (CID 112556928) is 5-methyl-2-(3-methylpentyl)piperidine.
What is the SMILES notation for 5-methyl-2-(3-methylpentyl)piperidine?
The canonical SMILES for 5-methyl-2-(3-methylpentyl)piperidine is CCC(C)CCC1CCC(C)CN1.
What is the InChIKey of 5-methyl-2-(3-methylpentyl)piperidine?
The InChIKey is WWQUKXBSCYQZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-10(2)5-7-12-8-6-11(3)9-13-12/h10-13H,4-9H2,1-3H3.
What are the key properties of 5-methyl-2-(3-methylpentyl)piperidine?
5-methyl-2-(3-methylpentyl)piperidine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylpentyl)piperidine is sourced from PubChem (CID 112556928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).