4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium

C10H21NO2 — CID 18968225

IUPAC4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
SMILESCOC1CC(C)(C)[NH+]([O-])C(C)(C)C1
InChIInChI=1S/C10H21NO2/c1-9(2)6-8(13-5)7-10(3,4)11(9)12/h8,11H,6-7H2,1-5H3
InChIKeyVNUURIZFKLRLIH-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.74
Rot. Bonds1

About 4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium

4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium (PubChem CID 18968225) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium.

Molecular Properties

Compound Name4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
PubChem CID18968225
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
SMILESCOC1CC(C)(C)[NH+]([O-])C(C)(C)C1
InChIInChI=1S/C10H21NO2/c1-9(2)6-8(13-5)7-10(3,4)11(9)12/h8,11H,6-7H2,1-5H3
InChIKeyVNUURIZFKLRLIH-UHFFFAOYSA-N
XLogP0.74
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The IUPAC name of 4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium (CID 18968225) is 4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium.
What is the SMILES notation for 4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The canonical SMILES for 4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium is COC1CC(C)(C)[NH+]([O-])C(C)(C)C1.
What is the InChIKey of 4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The InChIKey is VNUURIZFKLRLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)6-8(13-5)7-10(3,4)11(9)12/h8,11H,6-7H2,1-5H3.
What are the key properties of 4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium has a molecular weight of 187.28 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium is sourced from PubChem (CID 18968225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).