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

C9H19NO — CID 10125083

IUPAC2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
SMILESCC1(C)CCCC(C)(C)[NH+]1[O-]
InChIInChI=1S/C9H19NO/c1-8(2)6-5-7-9(3,4)10(8)11/h10H,5-7H2,1-4H3
InChIKeyRVWUHFFPEOKYLB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.11
Rot. Bonds

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

2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium (PubChem CID 10125083) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
PubChem CID10125083
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
SMILESCC1(C)CCCC(C)(C)[NH+]1[O-]
InChIInChI=1S/C9H19NO/c1-8(2)6-5-7-9(3,4)10(8)11/h10H,5-7H2,1-4H3
InChIKeyRVWUHFFPEOKYLB-UHFFFAOYSA-N
XLogP1.11
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium 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-tetramethyl-1-oxidopiperidin-1-ium?
The IUPAC name of 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium (CID 10125083) is 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The canonical SMILES for 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium is CC1(C)CCCC(C)(C)[NH+]1[O-].
What is the InChIKey of 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The InChIKey is RVWUHFFPEOKYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)6-5-7-9(3,4)10(8)11/h10H,5-7H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium has a molecular weight of 157.26 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium is sourced from PubChem (CID 10125083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).