ethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride

C12H24ClNO3 — CID 139244693

IUPACethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride
SMILESCCOC(=O)C1CC(C)(C)[NH+](O)C(C)(C)C1.[Cl-]
InChIInChI=1S/C12H23NO3.ClH/c1-6-16-10(14)9-7-11(2,3)13(15)12(4,5)8-9;/h9,15H,6-8H2,1-5H3;1H
InChIKeyLFXBIPCGCCMBCB-UHFFFAOYSA-N
MW265.78 g/mol
LogP-2.21
Rot. Bonds2

About ethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride

ethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride (PubChem CID 139244693) has the molecular formula C12H24ClNO3 and a molecular weight of 265.78 g/mol. Its IUPAC name is ethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride.

Molecular Properties

Compound Nameethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride
PubChem CID139244693
Molecular FormulaC12H24ClNO3
Molecular Weight265.78 g/mol
Exact Mass265.14
IUPAC Nameethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride
SMILESCCOC(=O)C1CC(C)(C)[NH+](O)C(C)(C)C1.[Cl-]
InChIInChI=1S/C12H23NO3.ClH/c1-6-16-10(14)9-7-11(2,3)13(15)12(4,5)8-9;/h9,15H,6-8H2,1-5H3;1H
InChIKeyLFXBIPCGCCMBCB-UHFFFAOYSA-N
XLogP-2.21
TPSA50.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 5-2.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride?
The IUPAC name of ethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride (CID 139244693) is ethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride.
What is the SMILES notation for ethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride?
The canonical SMILES for ethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride is CCOC(=O)C1CC(C)(C)[NH+](O)C(C)(C)C1.[Cl-].
What is the InChIKey of ethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride?
The InChIKey is LFXBIPCGCCMBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3.ClH/c1-6-16-10(14)9-7-11(2,3)13(15)12(4,5)8-9;/h9,15H,6-8H2,1-5H3;1H.
What are the key properties of ethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride?
ethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride has a molecular weight of 265.78 g/mol, XLogP of -2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride is sourced from PubChem (CID 139244693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).