nitrous acid;2,2,6,6-tetramethylpiperidin-4-ol

C9H20N2O3 — CID 160812062

IUPACnitrous acid;2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1.O=NO
InChIInChI=1S/C9H19NO.HNO2/c1-8(2)5-7(11)6-9(3,4)10-8;2-1-3/h7,10-11H,5-6H2,1-4H3;(H,2,3)
InChIKeyLUEARMVSJSIIDM-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.43
Rot. Bonds

About nitrous acid;2,2,6,6-tetramethylpiperidin-4-ol

nitrous acid;2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 160812062) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is nitrous acid;2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Namenitrous acid;2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID160812062
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Namenitrous acid;2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1.O=NO
InChIInChI=1S/C9H19NO.HNO2/c1-8(2)5-7(11)6-9(3,4)10-8;2-1-3/h7,10-11H,5-6H2,1-4H3;(H,2,3)
InChIKeyLUEARMVSJSIIDM-UHFFFAOYSA-N
XLogP1.43
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nitrous acid;2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of nitrous acid;2,2,6,6-tetramethylpiperidin-4-ol (CID 160812062) is nitrous acid;2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for nitrous acid;2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for nitrous acid;2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1.O=NO.
What is the InChIKey of nitrous acid;2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is LUEARMVSJSIIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.HNO2/c1-8(2)5-7(11)6-9(3,4)10-8;2-1-3/h7,10-11H,5-6H2,1-4H3;(H,2,3).
What are the key properties of nitrous acid;2,2,6,6-tetramethylpiperidin-4-ol?
nitrous acid;2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 204.27 g/mol, XLogP of 1.43, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitrous acid;2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 160812062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).