ethyl piperidin-1-ium-3-carboxylate;hydrochloride

C8H17ClNO2+ — CID 86633098

IUPACethyl piperidin-1-ium-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC[NH2+]C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7-4-3-5-9-6-7;/h7,9H,2-6H2,1H3;1H/p+1
InChIKeyZCEGLOKZSLNARG-UHFFFAOYSA-O
MW194.68 g/mol
LogP-0.06
Rot. Bonds2

About ethyl piperidin-1-ium-3-carboxylate;hydrochloride

ethyl piperidin-1-ium-3-carboxylate;hydrochloride (PubChem CID 86633098) has the molecular formula C8H17ClNO2+ and a molecular weight of 194.68 g/mol. Its IUPAC name is ethyl piperidin-1-ium-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl piperidin-1-ium-3-carboxylate;hydrochloride
PubChem CID86633098
Molecular FormulaC8H17ClNO2+
Molecular Weight194.68 g/mol
Exact Mass194.09
IUPAC Nameethyl piperidin-1-ium-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC[NH2+]C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7-4-3-5-9-6-7;/h7,9H,2-6H2,1H3;1H/p+1
InChIKeyZCEGLOKZSLNARG-UHFFFAOYSA-O
XLogP-0.06
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.68
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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azane;ethyl cyclopropanecarboxylate;hydrochloride
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ethyl piperidine-3-carboxylate;tetrahydrochloride
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1-O-ethyl 3-O-methyl cyclohexane-1,3-dicarboxylate
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ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
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ethyl 4-chlorocyclohexane-1-carboxylate
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ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
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ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
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ethyl (3R)-pyrrolidine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl piperidin-1-ium-3-carboxylate;hydrochloride?
The IUPAC name of ethyl piperidin-1-ium-3-carboxylate;hydrochloride (CID 86633098) is ethyl piperidin-1-ium-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl piperidin-1-ium-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl piperidin-1-ium-3-carboxylate;hydrochloride is CCOC(=O)C1CCC[NH2+]C1.Cl.
What is the InChIKey of ethyl piperidin-1-ium-3-carboxylate;hydrochloride?
The InChIKey is ZCEGLOKZSLNARG-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7-4-3-5-9-6-7;/h7,9H,2-6H2,1H3;1H/p+1.
What are the key properties of ethyl piperidin-1-ium-3-carboxylate;hydrochloride?
ethyl piperidin-1-ium-3-carboxylate;hydrochloride has a molecular weight of 194.68 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl piperidin-1-ium-3-carboxylate;hydrochloride is sourced from PubChem (CID 86633098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).