ethyl 4-ethylpiperidin-1-ium-4-carboxylate

C10H20NO2+ — CID 86307047

IUPACethyl 4-ethylpiperidin-1-ium-4-carboxylate
SMILESCCOC(=O)C1(CC)CC[NH2+]CC1
InChIInChI=1S/C10H19NO2/c1-3-10(9(12)13-4-2)5-7-11-8-6-10/h11H,3-8H2,1-2H3/p+1
InChIKeySWRKMDVRFPAIID-UHFFFAOYSA-O
MW186.27 g/mol
LogP0.30
Rot. Bonds3

About ethyl 4-ethylpiperidin-1-ium-4-carboxylate

ethyl 4-ethylpiperidin-1-ium-4-carboxylate (PubChem CID 86307047) has the molecular formula C10H20NO2+ and a molecular weight of 186.27 g/mol. Its IUPAC name is ethyl 4-ethylpiperidin-1-ium-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethylpiperidin-1-ium-4-carboxylate
PubChem CID86307047
Molecular FormulaC10H20NO2+
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Nameethyl 4-ethylpiperidin-1-ium-4-carboxylate
SMILESCCOC(=O)C1(CC)CC[NH2+]CC1
InChIInChI=1S/C10H19NO2/c1-3-10(9(12)13-4-2)5-7-11-8-6-10/h11H,3-8H2,1-2H3/p+1
InChIKeySWRKMDVRFPAIID-UHFFFAOYSA-O
XLogP0.30
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[(4-ethoxycarbonyl-4-ethylcyclohexyl)amino]carbamic acid
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ethyl 1-ethyl-3,3-dimethoxycyclobutane-1-carboxylate
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ethyl 3-propylpiperidin-1-ium-3-carboxylate chloride
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ethyl 1-ethyl-4-methylcyclohexane-1-carboxylate;(1-ethyl-4-methylcyclohexyl)methanol;methane
CID 161492948
diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate
CID 12740750
ethyl 1-prop-2-enylcyclopropane-1-carboxylate
CID 12619317
ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate
CID 122237424
ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethylpiperidin-1-ium-4-carboxylate?
The IUPAC name of ethyl 4-ethylpiperidin-1-ium-4-carboxylate (CID 86307047) is ethyl 4-ethylpiperidin-1-ium-4-carboxylate.
What is the SMILES notation for ethyl 4-ethylpiperidin-1-ium-4-carboxylate?
The canonical SMILES for ethyl 4-ethylpiperidin-1-ium-4-carboxylate is CCOC(=O)C1(CC)CC[NH2+]CC1.
What is the InChIKey of ethyl 4-ethylpiperidin-1-ium-4-carboxylate?
The InChIKey is SWRKMDVRFPAIID-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19NO2/c1-3-10(9(12)13-4-2)5-7-11-8-6-10/h11H,3-8H2,1-2H3/p+1.
What are the key properties of ethyl 4-ethylpiperidin-1-ium-4-carboxylate?
ethyl 4-ethylpiperidin-1-ium-4-carboxylate has a molecular weight of 186.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethylpiperidin-1-ium-4-carboxylate is sourced from PubChem (CID 86307047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).