2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate

C9H18F6NOP — CID 139053537

IUPAC2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate
SMILESCC1(C)CC(=O)CC(C)(C)[NH2+]1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H17NO.F6P/c1-8(2)5-7(11)6-9(3,4)10-8;1-7(2,3,4,5)6/h10H,5-6H2,1-4H3;/q;-1/p+1
InChIKeyANHQVOYGQOSCIS-UHFFFAOYSA-O
MW301.21 g/mol
LogP3.85
Rot. Bonds

About 2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate

2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate (PubChem CID 139053537) has the molecular formula C9H18F6NOP and a molecular weight of 301.21 g/mol. Its IUPAC name is 2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate.

Molecular Properties

Compound Name2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate
PubChem CID139053537
Molecular FormulaC9H18F6NOP
Molecular Weight301.21 g/mol
Exact Mass301.10
IUPAC Name2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate
SMILESCC1(C)CC(=O)CC(C)(C)[NH2+]1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H17NO.F6P/c1-8(2)5-7(11)6-9(3,4)10-8;1-7(2,3,4,5)6/h10H,5-6H2,1-4H3;/q;-1/p+1
InChIKeyANHQVOYGQOSCIS-UHFFFAOYSA-O
XLogP3.85
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate?
The IUPAC name of 2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate (CID 139053537) is 2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate.
What is the SMILES notation for 2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate?
The canonical SMILES for 2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate is CC1(C)CC(=O)CC(C)(C)[NH2+]1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate?
The InChIKey is ANHQVOYGQOSCIS-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17NO.F6P/c1-8(2)5-7(11)6-9(3,4)10-8;1-7(2,3,4,5)6/h10H,5-6H2,1-4H3;/q;-1/p+1.
What are the key properties of 2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate?
2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate has a molecular weight of 301.21 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethylpiperidin-1-ium-4-one hexafluorophosphate is sourced from PubChem (CID 139053537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).