(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate

C11H19Br2NO2 — CID 162509434

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate
SMILESCC1(C)CC(OC(=O)C(Br)Br)CC(C)(C)N1
InChIInChI=1S/C11H19Br2NO2/c1-10(2)5-7(6-11(3,4)14-10)16-9(15)8(12)13/h7-8,14H,5-6H2,1-4H3
InChIKeyDRQZMKMCVRQIMG-UHFFFAOYSA-N
MW357.09 g/mol
LogP2.95
Rot. Bonds2

About (2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate

(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate (PubChem CID 162509434) has the molecular formula C11H19Br2NO2 and a molecular weight of 357.09 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate
PubChem CID162509434
Molecular FormulaC11H19Br2NO2
Molecular Weight357.09 g/mol
Exact Mass354.98
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate
SMILESCC1(C)CC(OC(=O)C(Br)Br)CC(C)(C)N1
InChIInChI=1S/C11H19Br2NO2/c1-10(2)5-7(6-11(3,4)14-10)16-9(15)8(12)13/h7-8,14H,5-6H2,1-4H3
InChIKeyDRQZMKMCVRQIMG-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.09
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate
CID 54136975
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate
CID 22761497
iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate
CID 163508092
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate
CID 139985901
bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate
CID 67107833
2-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
CID 58322136
(2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate
CID 87076911
[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl] carbamate
CID 152771245
bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2-dicarboxylate
CID 70594525
2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate
CID 21330422
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate
CID 91141709
[1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium
CID 153184887

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate (CID 162509434) is (2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate is CC1(C)CC(OC(=O)C(Br)Br)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate?
The InChIKey is DRQZMKMCVRQIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Br2NO2/c1-10(2)5-7(6-11(3,4)14-10)16-9(15)8(12)13/h7-8,14H,5-6H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate?
(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate has a molecular weight of 357.09 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate is sourced from PubChem (CID 162509434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).