(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate

C9H20NO6P — CID 137333522

IUPAC(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate
SMILESCC1(C)CC(O)CC(C)(C)N1OOP(=O)(O)O
InChIInChI=1S/C9H20NO6P/c1-8(2)5-7(11)6-9(3,4)10(8)15-16-17(12,13)14/h7,11H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyLGPLVZBSZRQZBU-UHFFFAOYSA-N
MW269.23 g/mol
LogP0.96
Rot. Bonds3

About (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate

(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate (PubChem CID 137333522) has the molecular formula C9H20NO6P and a molecular weight of 269.23 g/mol. Its IUPAC name is (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate.

Molecular Properties

Compound Name(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate
PubChem CID137333522
Molecular FormulaC9H20NO6P
Molecular Weight269.23 g/mol
Exact Mass269.10
IUPAC Name(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate
SMILESCC1(C)CC(O)CC(C)(C)N1OOP(=O)(O)O
InChIInChI=1S/C9H20NO6P/c1-8(2)5-7(11)6-9(3,4)10(8)15-16-17(12,13)14/h7,11H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyLGPLVZBSZRQZBU-UHFFFAOYSA-N
XLogP0.96
TPSA99.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate?
The IUPAC name of (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate (CID 137333522) is (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate.
What is the SMILES notation for (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate?
The canonical SMILES for (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate is CC1(C)CC(O)CC(C)(C)N1OOP(=O)(O)O.
What is the InChIKey of (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate?
The InChIKey is LGPLVZBSZRQZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO6P/c1-8(2)5-7(11)6-9(3,4)10(8)15-16-17(12,13)14/h7,11H,5-6H2,1-4H3,(H2,12,13,14).
What are the key properties of (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate?
(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate has a molecular weight of 269.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy dihydrogen phosphate is sourced from PubChem (CID 137333522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).