hydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium

C9H19NO5P+ — CID 172793383

IUPAChydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium
SMILESCC1(C)CC(O)CC(C)(C)N1OO[P+](=O)O
InChIInChI=1S/C9H18NO5P/c1-8(2)5-7(11)6-9(3,4)10(8)14-15-16(12)13/h7,11H,5-6H2,1-4H3/p+1
InChIKeyBQAKZBLXWPBSCQ-UHFFFAOYSA-O
MW252.23 g/mol
LogP1.51
Rot. Bonds3

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

hydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium (PubChem CID 172793383) has the molecular formula C9H19NO5P+ and a molecular weight of 252.23 g/mol. Its IUPAC name is hydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium
PubChem CID172793383
Molecular FormulaC9H19NO5P+
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC Namehydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium
SMILESCC1(C)CC(O)CC(C)(C)N1OO[P+](=O)O
InChIInChI=1S/C9H18NO5P/c1-8(2)5-7(11)6-9(3,4)10(8)14-15-16(12)13/h7,11H,5-6H2,1-4H3/p+1
InChIKeyBQAKZBLXWPBSCQ-UHFFFAOYSA-O
XLogP1.51
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
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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Related Compounds

1-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 57082175
CID 102188245
CID 102188245
2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol
CID 22094181
1-(methoxymethoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 25033837
1-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 101197043
methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 23279644
1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 88999908
1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 6850828
methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 20596274
1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane
CID 161023393
1-(1-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 22165910
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid
CID 173256440

Frequently Asked Questions

What is the IUPAC name of hydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium?
The IUPAC name of hydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium (CID 172793383) is hydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium.
What is the SMILES notation for hydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium?
The canonical SMILES for hydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium is CC1(C)CC(O)CC(C)(C)N1OO[P+](=O)O.
What is the InChIKey of hydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium?
The InChIKey is BQAKZBLXWPBSCQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18NO5P/c1-8(2)5-7(11)6-9(3,4)10(8)14-15-16(12)13/h7,11H,5-6H2,1-4H3/p+1.
What are the key properties of hydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium?
hydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium has a molecular weight of 252.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium is sourced from PubChem (CID 172793383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).