1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium

C9H19NO2 — CID 87067420

IUPAC1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
SMILESCC1(C)CCCC(C)(C)[N+]1([O-])O
InChIInChI=1S/C9H19NO2/c1-8(2)6-5-7-9(3,4)10(8,11)12/h11H,5-7H2,1-4H3
InChIKeyUHVHCDKGRUZQBG-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.43
Rot. Bonds

About 1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium

1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium (PubChem CID 87067420) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium.

Molecular Properties

Compound Name1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
PubChem CID87067420
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
SMILESCC1(C)CCCC(C)(C)[N+]1([O-])O
InChIInChI=1S/C9H19NO2/c1-8(2)6-5-7-9(3,4)10(8,11)12/h11H,5-7H2,1-4H3
InChIKeyUHVHCDKGRUZQBG-UHFFFAOYSA-N
XLogP2.43
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The IUPAC name of 1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium (CID 87067420) is 1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium.
What is the SMILES notation for 1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The canonical SMILES for 1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium is CC1(C)CCCC(C)(C)[N+]1([O-])O.
What is the InChIKey of 1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The InChIKey is UHVHCDKGRUZQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)6-5-7-9(3,4)10(8,11)12/h11H,5-7H2,1-4H3.
What are the key properties of 1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium has a molecular weight of 173.26 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium is sourced from PubChem (CID 87067420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).