(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate

C9H18NO5S- — CID 20626758

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate
SMILESCC1(C)CC(OS(=O)(=O)[O-])CC(C)(C)N1O
InChIInChI=1S/C9H19NO5S/c1-8(2)5-7(15-16(12,13)14)6-9(3,4)10(8)11/h7,11H,5-6H2,1-4H3,(H,12,13,14)/p-1
InChIKeyBDNRDSOWVPOMPY-UHFFFAOYSA-M
MW252.31 g/mol
LogP0.87
Rot. Bonds2

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

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate (PubChem CID 20626758) has the molecular formula C9H18NO5S- and a molecular weight of 252.31 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate
PubChem CID20626758
Molecular FormulaC9H18NO5S-
Molecular Weight252.31 g/mol
Exact Mass252.09
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate
SMILESCC1(C)CC(OS(=O)(=O)[O-])CC(C)(C)N1O
InChIInChI=1S/C9H19NO5S/c1-8(2)5-7(15-16(12,13)14)6-9(3,4)10(8)11/h7,11H,5-6H2,1-4H3,(H,12,13,14)/p-1
InChIKeyBDNRDSOWVPOMPY-UHFFFAOYSA-M
XLogP0.87
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid
CID 173256440
1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine
CID 58825118
1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate
CID 129208299
(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl) hydrogen sulfate
CID 159900061
1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
CID 118137024
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine
CID 22967249
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2,2,6,6-tetramethylpiperidin-4-amine
CID 91459045
[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 149204279
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate
CID 20590965

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate (CID 20626758) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate is CC1(C)CC(OS(=O)(=O)[O-])CC(C)(C)N1O.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate?
The InChIKey is BDNRDSOWVPOMPY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NO5S/c1-8(2)5-7(15-16(12,13)14)6-9(3,4)10(8)11/h7,11H,5-6H2,1-4H3,(H,12,13,14)/p-1.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate has a molecular weight of 252.31 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate is sourced from PubChem (CID 20626758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).