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

C9H20N2O — CID 11629669

IUPAC2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-amine
SMILESCC1(C)CC(N)CC(C)(C)[NH+]1[O-]
InChIInChI=1S/C9H20N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7,11H,5-6,10H2,1-4H3
InChIKeyOJKKDSPQAAGKJR-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds

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

2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-amine (PubChem CID 11629669) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-amine
PubChem CID11629669
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-amine
SMILESCC1(C)CC(N)CC(C)(C)[NH+]1[O-]
InChIInChI=1S/C9H20N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7,11H,5-6,10H2,1-4H3
InChIKeyOJKKDSPQAAGKJR-UHFFFAOYSA-N
XLogP0.05
TPSA53.52 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-amine (CID 11629669) is 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-amine is CC1(C)CC(N)CC(C)(C)[NH+]1[O-].
What is the InChIKey of 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-amine?
The InChIKey is OJKKDSPQAAGKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7,11H,5-6,10H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-amine?
2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-amine has a molecular weight of 172.27 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-amine is sourced from PubChem (CID 11629669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).