1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride

C10H22ClNO2 — CID 139244688

IUPAC1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride
SMILESCOC1CC(C)(C)[NH+](O)C(C)(C)C1.[Cl-]
InChIInChI=1S/C10H21NO2.ClH/c1-9(2)6-8(13-5)7-10(3,4)11(9)12;/h8,12H,6-7H2,1-5H3;1H
InChIKeyGCUVWYFMDQDGJT-UHFFFAOYSA-N
MW223.74 g/mol
LogP-2.37
Rot. Bonds1

About 1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride

1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride (PubChem CID 139244688) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is 1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride.

Molecular Properties

Compound Name1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride
PubChem CID139244688
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Name1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride
SMILESCOC1CC(C)(C)[NH+](O)C(C)(C)C1.[Cl-]
InChIInChI=1S/C10H21NO2.ClH/c1-9(2)6-8(13-5)7-10(3,4)11(9)12;/h8,12H,6-7H2,1-5H3;1H
InChIKeyGCUVWYFMDQDGJT-UHFFFAOYSA-N
XLogP-2.37
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 5-2.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride?
The IUPAC name of 1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride (CID 139244688) is 1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride.
What is the SMILES notation for 1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride?
The canonical SMILES for 1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride is COC1CC(C)(C)[NH+](O)C(C)(C)C1.[Cl-].
What is the InChIKey of 1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride?
The InChIKey is GCUVWYFMDQDGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.ClH/c1-9(2)6-8(13-5)7-10(3,4)11(9)12;/h8,12H,6-7H2,1-5H3;1H.
What are the key properties of 1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride?
1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride has a molecular weight of 223.74 g/mol, XLogP of -2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidin-1-ium chloride is sourced from PubChem (CID 139244688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).