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

C9H20BrNO — CID 175836735

IUPAC2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium;hydrobromide
SMILESBr.CC1(C)CCCC(C)(C)[NH+]1[O-]
InChIInChI=1S/C9H19NO.BrH/c1-8(2)6-5-7-9(3,4)10(8)11;/h10H,5-7H2,1-4H3;1H
InChIKeyQOULJNXHQNEMKB-UHFFFAOYSA-N
MW238.17 g/mol
LogP1.69
Rot. Bonds

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

2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium;hydrobromide (PubChem CID 175836735) has the molecular formula C9H20BrNO and a molecular weight of 238.17 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium;hydrobromide.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium;hydrobromide
PubChem CID175836735
Molecular FormulaC9H20BrNO
Molecular Weight238.17 g/mol
Exact Mass237.07
IUPAC Name2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium;hydrobromide
SMILESBr.CC1(C)CCCC(C)(C)[NH+]1[O-]
InChIInChI=1S/C9H19NO.BrH/c1-8(2)6-5-7-9(3,4)10(8)11;/h10H,5-7H2,1-4H3;1H
InChIKeyQOULJNXHQNEMKB-UHFFFAOYSA-N
XLogP1.69
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium;hydrobromide?
The IUPAC name of 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium;hydrobromide (CID 175836735) is 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium;hydrobromide.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium;hydrobromide?
The canonical SMILES for 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium;hydrobromide is Br.CC1(C)CCCC(C)(C)[NH+]1[O-].
What is the InChIKey of 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium;hydrobromide?
The InChIKey is QOULJNXHQNEMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.BrH/c1-8(2)6-5-7-9(3,4)10(8)11;/h10H,5-7H2,1-4H3;1H.
What are the key properties of 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium;hydrobromide?
2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium;hydrobromide has a molecular weight of 238.17 g/mol, XLogP of 1.69, 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;hydrobromide is sourced from PubChem (CID 175836735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).