bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid

C18H40N2O8S — CID 173256440

IUPACbis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid
SMILESCC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.O=S(=O)(O)O
InChIInChI=1S/2C9H19NO2.H2O4S/c2*1-8(2)5-7(11)6-9(3,4)10(8)12;1-5(2,3)4/h2*7,11-12H,5-6H2,1-4H3;(H2,1,2,3,4)
InChIKeyLDXSSVPBASJFTJ-UHFFFAOYSA-N
MW444.59 g/mol
LogP2.13
Rot. Bonds

About bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid (PubChem CID 173256440) has the molecular formula C18H40N2O8S and a molecular weight of 444.59 g/mol. Its IUPAC name is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid.

Molecular Properties

Compound Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid
PubChem CID173256440
Molecular FormulaC18H40N2O8S
Molecular Weight444.59 g/mol
Exact Mass444.25
IUPAC Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid
SMILESCC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.O=S(=O)(O)O
InChIInChI=1S/2C9H19NO2.H2O4S/c2*1-8(2)5-7(11)6-9(3,4)10(8)12;1-5(2,3)4/h2*7,11-12H,5-6H2,1-4H3;(H2,1,2,3,4)
InChIKeyLDXSSVPBASJFTJ-UHFFFAOYSA-N
XLogP2.13
TPSA162.00 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.59
LogP ≤ 52.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol
CID 138599858
N,N-ditert-butylhydroxylamine;ethane;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 142932735
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol)
CID 173025963
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate
CID 20626758
1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
tert-butyl 2-methylprop-2-enoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 135359248
(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl) hydrogen sulfate
CID 159900061
hydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol
CID 66868010
CID 102188245
CID 102188245
tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid
CID 160951906
1-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 57082175
1-hydroxy-N,2,2,6,6-pentamethylpiperidin-4-amine
CID 11853021

Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid?
The IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid (CID 173256440) is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid.
What is the SMILES notation for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid?
The canonical SMILES for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid is CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.O=S(=O)(O)O.
What is the InChIKey of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid?
The InChIKey is LDXSSVPBASJFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19NO2.H2O4S/c2*1-8(2)5-7(11)6-9(3,4)10(8)12;1-5(2,3)4/h2*7,11-12H,5-6H2,1-4H3;(H2,1,2,3,4).
What are the key properties of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid?
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid has a molecular weight of 444.59 g/mol, XLogP of 2.13, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid is sourced from PubChem (CID 173256440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).