About 1,1-dimethyl-3-methylidenepiperidin-1-ium chloride
1,1-dimethyl-3-methylidenepiperidin-1-ium chloride (PubChem CID 18175859) has the molecular formula C8H16ClN
and a molecular weight of 161.68 g/mol. Its IUPAC name is 1,1-dimethyl-3-methylidenepiperidin-1-ium chloride.
Molecular Properties
| Compound Name | 1,1-dimethyl-3-methylidenepiperidin-1-ium chloride |
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| PubChem CID | 18175859 |
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| Molecular Formula | C8H16ClN |
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| Molecular Weight | 161.68 g/mol |
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| Exact Mass | 161.10 |
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| IUPAC Name | 1,1-dimethyl-3-methylidenepiperidin-1-ium chloride |
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| SMILES | C=C1CCC[N+](C)(C)C1.[Cl-] |
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| InChI | InChI=1S/C8H16N.ClH/c1-8-5-4-6-9(2,3)7-8;/h1,4-7H2,2-3H3;1H/q+1;/p-1 |
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| InChIKey | FAUCAZZTRKOAKP-UHFFFAOYSA-M |
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| XLogP | -1.58 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 161.68 |
| LogP ≤ 5 | -1.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1,1-dimethyl-3-methylidenepiperidin-1-ium chloride?
The IUPAC name of 1,1-dimethyl-3-methylidenepiperidin-1-ium chloride (CID 18175859) is 1,1-dimethyl-3-methylidenepiperidin-1-ium chloride.
What is the SMILES notation for 1,1-dimethyl-3-methylidenepiperidin-1-ium chloride?
The canonical SMILES for 1,1-dimethyl-3-methylidenepiperidin-1-ium chloride is C=C1CCC[N+](C)(C)C1.[Cl-].
What is the InChIKey of 1,1-dimethyl-3-methylidenepiperidin-1-ium chloride?
The InChIKey is FAUCAZZTRKOAKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N.ClH/c1-8-5-4-6-9(2,3)7-8;/h1,4-7H2,2-3H3;1H/q+1;/p-1.
What are the key properties of 1,1-dimethyl-3-methylidenepiperidin-1-ium chloride?
1,1-dimethyl-3-methylidenepiperidin-1-ium chloride has a molecular weight of 161.68 g/mol, XLogP of -1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-methylidenepiperidin-1-ium chloride is sourced from PubChem (CID 18175859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).