About 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine
4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine (PubChem CID 129134140) has the molecular formula C15H29N
and a molecular weight of 223.40 g/mol. Its IUPAC name is 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine.
Molecular Properties
| Compound Name | 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine |
| PubChem CID | 129134140 |
| Molecular Formula | C15H29N |
| Molecular Weight | 223.40 g/mol |
| Exact Mass | 223.23 |
| IUPAC Name | 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine |
| SMILES | CC1CC(N2CCC(C)(C(C)(C)C)CC2)C1 |
| InChI | InChI=1S/C15H29N/c1-12-10-13(11-12)16-8-6-15(5,7-9-16)14(2,3)4/h12-13H,6-11H2,1-5H3 |
| InChIKey | IPGYYXYPFOUHDH-UHFFFAOYSA-N |
| XLogP | 3.93 |
| TPSA | 3.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 223.40 |
| LogP ≤ 5 | 3.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine?
The IUPAC name of 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine (CID 129134140) is 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine.
What is the SMILES notation for 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine?
The canonical SMILES for 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine is CC1CC(N2CCC(C)(C(C)(C)C)CC2)C1.
What is the InChIKey of 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine?
The InChIKey is IPGYYXYPFOUHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-12-10-13(11-12)16-8-6-15(5,7-9-16)14(2,3)4/h12-13H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine?
4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine has a molecular weight of 223.40 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine is sourced from PubChem (CID 129134140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).