2,2,6,6-Tetramethylpiperidine-d18-1-oxyl

C9H18NO — CID 100970186

IUPAC—
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])N([O])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C9H18NO/c1-8(2)6-5-7-9(3,4)10(8)11/h5-7H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D2
InChIKeyQYTDEUPAUMOIOP-UWBLXWIRSA-N
MW174.36 g/mol
LogP2.38
Rot. Bonds4

About 2,2,6,6-Tetramethylpiperidine-d18-1-oxyl

2,2,6,6-Tetramethylpiperidine-d18-1-oxyl (PubChem CID 100970186) has the molecular formula C9H18NO and a molecular weight of 174.36 g/mol.

Molecular Properties

Compound Name2,2,6,6-Tetramethylpiperidine-d18-1-oxyl
PubChem CID100970186
Molecular FormulaC9H18NO
Molecular Weight174.36 g/mol
Exact Mass174.25
IUPAC Name—
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])N([O])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C9H18NO/c1-8(2)6-5-7-9(3,4)10(8)11/h5-7H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D2
InChIKeyQYTDEUPAUMOIOP-UWBLXWIRSA-N
XLogP2.38
TPSA23.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-Tetramethylpiperidine-d18-1-oxyl?
The IUPAC name of 2,2,6,6-Tetramethylpiperidine-d18-1-oxyl (CID 100970186) is not available.
What is the SMILES notation for 2,2,6,6-Tetramethylpiperidine-d18-1-oxyl?
The canonical SMILES for 2,2,6,6-Tetramethylpiperidine-d18-1-oxyl is [2H]C([2H])([2H])C1(C([2H])([2H])[2H])N([O])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 2,2,6,6-Tetramethylpiperidine-d18-1-oxyl?
The InChIKey is QYTDEUPAUMOIOP-UWBLXWIRSA-N. The full InChI is InChI=1S/C9H18NO/c1-8(2)6-5-7-9(3,4)10(8)11/h5-7H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D2.
What are the key properties of 2,2,6,6-Tetramethylpiperidine-d18-1-oxyl?
2,2,6,6-Tetramethylpiperidine-d18-1-oxyl has a molecular weight of 174.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-Tetramethylpiperidine-d18-1-oxyl is sourced from PubChem (CID 100970186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).