2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C11H21BrN2O2 — CID 3563802

IUPAC2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)CBr)CC(C)(C)N1O
InChIInChI=1S/C11H21BrN2O2/c1-10(2)5-8(13-9(15)7-12)6-11(3,4)14(10)16/h8,16H,5-7H2,1-4H3,(H,13,15)
InChIKeyNWKWOGIYICOQRR-UHFFFAOYSA-N
MW293.21 g/mol
LogP1.91
Rot. Bonds2

About 2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 3563802) has the molecular formula C11H21BrN2O2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID3563802
Molecular FormulaC11H21BrN2O2
Molecular Weight293.21 g/mol
Exact Mass292.08
IUPAC Name2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)CBr)CC(C)(C)N1O
InChIInChI=1S/C11H21BrN2O2/c1-10(2)5-8(13-9(15)7-12)6-11(3,4)14(10)16/h8,16H,5-7H2,1-4H3,(H,13,15)
InChIKeyNWKWOGIYICOQRR-UHFFFAOYSA-N
XLogP1.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 3563802) is 2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC1(C)CC(NC(=O)CBr)CC(C)(C)N1O.
What is the InChIKey of 2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is NWKWOGIYICOQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2O2/c1-10(2)5-8(13-9(15)7-12)6-11(3,4)14(10)16/h8,16H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 293.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 3563802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).