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

C9H20NO5P — CID 4550871

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) dihydrogen phosphate
SMILESCC1(C)CC(OP(=O)(O)O)CC(C)(C)N1O
InChIInChI=1S/C9H20NO5P/c1-8(2)5-7(15-16(12,13)14)6-9(3,4)10(8)11/h7,11H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyJVYZTIYTKMGWHL-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.51
Rot. Bonds2

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

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) dihydrogen phosphate (PubChem CID 4550871) has the molecular formula C9H20NO5P and a molecular weight of 253.23 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) dihydrogen phosphate
PubChem CID4550871
Molecular FormulaC9H20NO5P
Molecular Weight253.23 g/mol
Exact Mass253.11
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) dihydrogen phosphate
SMILESCC1(C)CC(OP(=O)(O)O)CC(C)(C)N1O
InChIInChI=1S/C9H20NO5P/c1-8(2)5-7(15-16(12,13)14)6-9(3,4)10(8)11/h7,11H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyJVYZTIYTKMGWHL-UHFFFAOYSA-N
XLogP1.51
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) dihydrogen phosphate?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) dihydrogen phosphate (CID 4550871) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) dihydrogen phosphate.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) dihydrogen phosphate?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) dihydrogen phosphate is CC1(C)CC(OP(=O)(O)O)CC(C)(C)N1O.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) dihydrogen phosphate?
The InChIKey is JVYZTIYTKMGWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO5P/c1-8(2)5-7(15-16(12,13)14)6-9(3,4)10(8)11/h7,11H,5-6H2,1-4H3,(H2,12,13,14).
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) dihydrogen phosphate?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) dihydrogen phosphate has a molecular weight of 253.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) dihydrogen phosphate is sourced from PubChem (CID 4550871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).