About 2-methyl-1-(5-methyloct-7-enyl)piperidine
2-methyl-1-(5-methyloct-7-enyl)piperidine (PubChem CID 123555943) has the molecular formula C15H29N
and a molecular weight of 223.40 g/mol. Its IUPAC name is 2-methyl-1-(5-methyloct-7-enyl)piperidine.
Molecular Properties
| Compound Name | 2-methyl-1-(5-methyloct-7-enyl)piperidine |
| PubChem CID | 123555943 |
| Molecular Formula | C15H29N |
| Molecular Weight | 223.40 g/mol |
| Exact Mass | 223.23 |
| IUPAC Name | 2-methyl-1-(5-methyloct-7-enyl)piperidine |
| SMILES | C=CCC(C)CCCCN1CCCCC1C |
| InChI | InChI=1S/C15H29N/c1-4-9-14(2)10-5-7-12-16-13-8-6-11-15(16)3/h4,14-15H,1,5-13H2,2-3H3 |
| InChIKey | FZSILNDDIWKKDK-UHFFFAOYSA-N |
| XLogP | 4.24 |
| TPSA | 3.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 223.40 |
| LogP ≤ 5 | 4.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-methyl-1-(5-methyloct-7-enyl)piperidine?
The IUPAC name of 2-methyl-1-(5-methyloct-7-enyl)piperidine (CID 123555943) is 2-methyl-1-(5-methyloct-7-enyl)piperidine.
What is the SMILES notation for 2-methyl-1-(5-methyloct-7-enyl)piperidine?
The canonical SMILES for 2-methyl-1-(5-methyloct-7-enyl)piperidine is C=CCC(C)CCCCN1CCCCC1C.
What is the InChIKey of 2-methyl-1-(5-methyloct-7-enyl)piperidine?
The InChIKey is FZSILNDDIWKKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-4-9-14(2)10-5-7-12-16-13-8-6-11-15(16)3/h4,14-15H,1,5-13H2,2-3H3.
What are the key properties of 2-methyl-1-(5-methyloct-7-enyl)piperidine?
2-methyl-1-(5-methyloct-7-enyl)piperidine has a molecular weight of 223.40 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyloct-7-enyl)piperidine is sourced from PubChem (CID 123555943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).