[1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate

C9H21N2O6P — CID 123385919

IUPAC[1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate
SMILESCC1(C)CC(OP(=O)(O)O)CC(C)(C)N1ONO
InChIInChI=1S/C9H21N2O6P/c1-8(2)5-7(16-18(13,14)15)6-9(3,4)11(8)17-10-12/h7,10,12H,5-6H2,1-4H3,(H2,13,14,15)
InChIKeyDFGZKBFMRNYJOB-UHFFFAOYSA-N
MW284.25 g/mol
LogP0.94
Rot. Bonds4

About [1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate

[1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate (PubChem CID 123385919) has the molecular formula C9H21N2O6P and a molecular weight of 284.25 g/mol. Its IUPAC name is [1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate
PubChem CID123385919
Molecular FormulaC9H21N2O6P
Molecular Weight284.25 g/mol
Exact Mass284.11
IUPAC Name[1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate
SMILESCC1(C)CC(OP(=O)(O)O)CC(C)(C)N1ONO
InChIInChI=1S/C9H21N2O6P/c1-8(2)5-7(16-18(13,14)15)6-9(3,4)11(8)17-10-12/h7,10,12H,5-6H2,1-4H3,(H2,13,14,15)
InChIKeyDFGZKBFMRNYJOB-UHFFFAOYSA-N
XLogP0.94
TPSA111.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate?
The IUPAC name of [1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate (CID 123385919) is [1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate.
What is the SMILES notation for [1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate?
The canonical SMILES for [1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate is CC1(C)CC(OP(=O)(O)O)CC(C)(C)N1ONO.
What is the InChIKey of [1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate?
The InChIKey is DFGZKBFMRNYJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2O6P/c1-8(2)5-7(16-18(13,14)15)6-9(3,4)11(8)17-10-12/h7,10,12H,5-6H2,1-4H3,(H2,13,14,15).
What are the key properties of [1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate?
[1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate has a molecular weight of 284.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate is sourced from PubChem (CID 123385919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).