2,2,6,6-tetramethylpiperidin-1-ium chloride

C9H20ClN — CID 66868076

IUPAC2,2,6,6-tetramethylpiperidin-1-ium chloride
SMILESCC1(C)CCCC(C)(C)[NH2+]1.[Cl-]
InChIInChI=1S/C9H19N.ClH/c1-8(2)6-5-7-9(3,4)10-8;/h10H,5-7H2,1-4H3;1H
InChIKeyGCZDACZURJFILX-UHFFFAOYSA-N
MW177.72 g/mol
LogP-1.71
Rot. Bonds

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

2,2,6,6-tetramethylpiperidin-1-ium chloride (PubChem CID 66868076) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is 2,2,6,6-tetramethylpiperidin-1-ium chloride.

Molecular Properties

Compound Name2,2,6,6-tetramethylpiperidin-1-ium chloride
PubChem CID66868076
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name2,2,6,6-tetramethylpiperidin-1-ium chloride
SMILESCC1(C)CCCC(C)(C)[NH2+]1.[Cl-]
InChIInChI=1S/C9H19N.ClH/c1-8(2)6-5-7-9(3,4)10-8;/h10H,5-7H2,1-4H3;1H
InChIKeyGCZDACZURJFILX-UHFFFAOYSA-N
XLogP-1.71
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2,2,6,6-tetramethylpiperidin-1-ium 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 2,2,6,6-tetramethylpiperidin-1-ium chloride?
The IUPAC name of 2,2,6,6-tetramethylpiperidin-1-ium chloride (CID 66868076) is 2,2,6,6-tetramethylpiperidin-1-ium chloride.
What is the SMILES notation for 2,2,6,6-tetramethylpiperidin-1-ium chloride?
The canonical SMILES for 2,2,6,6-tetramethylpiperidin-1-ium chloride is CC1(C)CCCC(C)(C)[NH2+]1.[Cl-].
What is the InChIKey of 2,2,6,6-tetramethylpiperidin-1-ium chloride?
The InChIKey is GCZDACZURJFILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-8(2)6-5-7-9(3,4)10-8;/h10H,5-7H2,1-4H3;1H.
What are the key properties of 2,2,6,6-tetramethylpiperidin-1-ium chloride?
2,2,6,6-tetramethylpiperidin-1-ium chloride has a molecular weight of 177.72 g/mol, XLogP of -1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethylpiperidin-1-ium chloride is sourced from PubChem (CID 66868076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).