2,2,6,6-Tetramethyl-4-(dichlorotriazin)aminopiperidine-1-oxyl

C12H18Cl2N5O — CID 3082236

IUPAC—
SMILESCC1(C)CC(Nc2nc(Cl)nc(Cl)n2)CC(C)(C)N1[O]
InChIInChI=1S/C12H18Cl2N5O/c1-11(2)5-7(6-12(3,4)19(11)20)15-10-17-8(13)16-9(14)18-10/h7H,5-6H2,1-4H3,(H,15,16,17,18)
InChIKeyZTMSSPVGNCWKDG-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.96
Rot. Bonds2

About 2,2,6,6-Tetramethyl-4-(dichlorotriazin)aminopiperidine-1-oxyl

2,2,6,6-Tetramethyl-4-(dichlorotriazin)aminopiperidine-1-oxyl (PubChem CID 3082236) has the molecular formula C12H18Cl2N5O and a molecular weight of 319.22 g/mol.

Molecular Properties

Compound Name2,2,6,6-Tetramethyl-4-(dichlorotriazin)aminopiperidine-1-oxyl
PubChem CID3082236
Molecular FormulaC12H18Cl2N5O
Molecular Weight319.22 g/mol
Exact Mass318.09
IUPAC Name—
SMILESCC1(C)CC(Nc2nc(Cl)nc(Cl)n2)CC(C)(C)N1[O]
InChIInChI=1S/C12H18Cl2N5O/c1-11(2)5-7(6-12(3,4)19(11)20)15-10-17-8(13)16-9(14)18-10/h7H,5-6H2,1-4H3,(H,15,16,17,18)
InChIKeyZTMSSPVGNCWKDG-UHFFFAOYSA-N
XLogP2.96
TPSA73.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-Tetramethyl-4-(dichlorotriazin)aminopiperidine-1-oxyl?
The IUPAC name of 2,2,6,6-Tetramethyl-4-(dichlorotriazin)aminopiperidine-1-oxyl (CID 3082236) is not available.
What is the SMILES notation for 2,2,6,6-Tetramethyl-4-(dichlorotriazin)aminopiperidine-1-oxyl?
The canonical SMILES for 2,2,6,6-Tetramethyl-4-(dichlorotriazin)aminopiperidine-1-oxyl is CC1(C)CC(Nc2nc(Cl)nc(Cl)n2)CC(C)(C)N1[O].
What is the InChIKey of 2,2,6,6-Tetramethyl-4-(dichlorotriazin)aminopiperidine-1-oxyl?
The InChIKey is ZTMSSPVGNCWKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N5O/c1-11(2)5-7(6-12(3,4)19(11)20)15-10-17-8(13)16-9(14)18-10/h7H,5-6H2,1-4H3,(H,15,16,17,18).
What are the key properties of 2,2,6,6-Tetramethyl-4-(dichlorotriazin)aminopiperidine-1-oxyl?
2,2,6,6-Tetramethyl-4-(dichlorotriazin)aminopiperidine-1-oxyl has a molecular weight of 319.22 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-Tetramethyl-4-(dichlorotriazin)aminopiperidine-1-oxyl is sourced from PubChem (CID 3082236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).