1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium

C9H20NO+ — CID 12657389

IUPAC1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium
SMILESCC1(C)CCCC(C)(C)[NH+]1O
InChIInChI=1S/C9H19NO/c1-8(2)6-5-7-9(3,4)10(8)11/h11H,5-7H2,1-4H3/p+1
InChIKeyVUZNLSBZRVZGIK-UHFFFAOYSA-O
MW158.26 g/mol
LogP1.00
Rot. Bonds

About 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium

1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium (PubChem CID 12657389) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium.

Molecular Properties

Compound Name1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium
PubChem CID12657389
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium
SMILESCC1(C)CCCC(C)(C)[NH+]1O
InChIInChI=1S/C9H19NO/c1-8(2)6-5-7-9(3,4)10(8)11/h11H,5-7H2,1-4H3/p+1
InChIKeyVUZNLSBZRVZGIK-UHFFFAOYSA-O
XLogP1.00
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium?
The IUPAC name of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium (CID 12657389) is 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium.
What is the SMILES notation for 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium?
The canonical SMILES for 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium is CC1(C)CCCC(C)(C)[NH+]1O.
What is the InChIKey of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium?
The InChIKey is VUZNLSBZRVZGIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19NO/c1-8(2)6-5-7-9(3,4)10(8)11/h11H,5-7H2,1-4H3/p+1.
What are the key properties of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium?
1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium has a molecular weight of 158.26 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium is sourced from PubChem (CID 12657389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).