1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride

C10H19ClN2O — CID 139244691

IUPAC1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride
SMILESCC1(C)CC(C#N)CC(C)(C)[NH+]1O.[Cl-]
InChIInChI=1S/C10H18N2O.ClH/c1-9(2)5-8(7-11)6-10(3,4)12(9)13;/h8,13H,5-6H2,1-4H3;1H
InChIKeyNJFZNJMUZQLCKM-UHFFFAOYSA-N
MW218.73 g/mol
LogP-2.24
Rot. Bonds

About 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride

1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride (PubChem CID 139244691) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride.

Molecular Properties

Compound Name1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride
PubChem CID139244691
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Name1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride
SMILESCC1(C)CC(C#N)CC(C)(C)[NH+]1O.[Cl-]
InChIInChI=1S/C10H18N2O.ClH/c1-9(2)5-8(7-11)6-10(3,4)12(9)13;/h8,13H,5-6H2,1-4H3;1H
InChIKeyNJFZNJMUZQLCKM-UHFFFAOYSA-N
XLogP-2.24
TPSA48.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 5-2.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride?
The IUPAC name of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride (CID 139244691) is 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride.
What is the SMILES notation for 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride?
The canonical SMILES for 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride is CC1(C)CC(C#N)CC(C)(C)[NH+]1O.[Cl-].
What is the InChIKey of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride?
The InChIKey is NJFZNJMUZQLCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.ClH/c1-9(2)5-8(7-11)6-10(3,4)12(9)13;/h8,13H,5-6H2,1-4H3;1H.
What are the key properties of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride?
1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride has a molecular weight of 218.73 g/mol, XLogP of -2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carbonitrile chloride is sourced from PubChem (CID 139244691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).