About 1-(methoxymethyl)-3-(naphthalen-2-ylmethoxy)piperidine
1-(methoxymethyl)-3-(naphthalen-2-ylmethoxy)piperidine (PubChem CID 154162949) has the molecular formula C18H23NO2
and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(methoxymethyl)-3-(naphthalen-2-ylmethoxy)piperidine.
Molecular Properties
| Compound Name | 1-(methoxymethyl)-3-(naphthalen-2-ylmethoxy)piperidine |
| PubChem CID | 154162949 |
| Molecular Formula | C18H23NO2 |
| Molecular Weight | 285.39 g/mol |
| Exact Mass | 285.17 |
| IUPAC Name | 1-(methoxymethyl)-3-(naphthalen-2-ylmethoxy)piperidine |
| SMILES | COCN1CCCC(OCc2ccc3ccccc3c2)C1 |
| InChI | InChI=1S/C18H23NO2/c1-20-14-19-10-4-7-18(12-19)21-13-15-8-9-16-5-2-3-6-17(16)11-15/h2-3,5-6,8-9,11,18H,4,7,10,12-14H2,1H3 |
| InChIKey | BHLSHGRBZVMACG-UHFFFAOYSA-N |
| XLogP | 3.42 |
| TPSA | 21.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 285.39 |
| LogP ≤ 5 | 3.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-(methoxymethyl)-3-(naphthalen-2-ylmethoxy)piperidine?
The IUPAC name of 1-(methoxymethyl)-3-(naphthalen-2-ylmethoxy)piperidine (CID 154162949) is 1-(methoxymethyl)-3-(naphthalen-2-ylmethoxy)piperidine.
What is the SMILES notation for 1-(methoxymethyl)-3-(naphthalen-2-ylmethoxy)piperidine?
The canonical SMILES for 1-(methoxymethyl)-3-(naphthalen-2-ylmethoxy)piperidine is COCN1CCCC(OCc2ccc3ccccc3c2)C1.
What is the InChIKey of 1-(methoxymethyl)-3-(naphthalen-2-ylmethoxy)piperidine?
The InChIKey is BHLSHGRBZVMACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-20-14-19-10-4-7-18(12-19)21-13-15-8-9-16-5-2-3-6-17(16)11-15/h2-3,5-6,8-9,11,18H,4,7,10,12-14H2,1H3.
What are the key properties of 1-(methoxymethyl)-3-(naphthalen-2-ylmethoxy)piperidine?
1-(methoxymethyl)-3-(naphthalen-2-ylmethoxy)piperidine has a molecular weight of 285.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3-(naphthalen-2-ylmethoxy)piperidine is sourced from PubChem (CID 154162949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).