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

C11H20ClNO2 — CID 868423

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 2-chloroacetate
SMILESCC1(C)CC(OC(=O)CCl)CC(C)(C)N1
InChIInChI=1S/C11H20ClNO2/c1-10(2)5-8(15-9(14)7-12)6-11(3,4)13-10/h8,13H,5-7H2,1-4H3
InChIKeyAOXJZOMKEFOBQI-UHFFFAOYSA-N
MW233.74 g/mol
LogP2.08
Rot. Bonds2

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

(2,2,6,6-tetramethylpiperidin-4-yl) 2-chloroacetate (PubChem CID 868423) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 2-chloroacetate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 2-chloroacetate
PubChem CID868423
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 2-chloroacetate
SMILESCC1(C)CC(OC(=O)CCl)CC(C)(C)N1
InChIInChI=1S/C11H20ClNO2/c1-10(2)5-8(15-9(14)7-12)6-11(3,4)13-10/h8,13H,5-7H2,1-4H3
InChIKeyAOXJZOMKEFOBQI-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.08
H-Bond Donors ≤ 51
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 (2,2,6,6-tetramethylpiperidin-4-yl) 2-chloroacetate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 2-chloroacetate (CID 868423) is (2,2,6,6-tetramethylpiperidin-4-yl) 2-chloroacetate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 2-chloroacetate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 2-chloroacetate is CC1(C)CC(OC(=O)CCl)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 2-chloroacetate?
The InChIKey is AOXJZOMKEFOBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-10(2)5-8(15-9(14)7-12)6-11(3,4)13-10/h8,13H,5-7H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 2-chloroacetate?
(2,2,6,6-tetramethylpiperidin-4-yl) 2-chloroacetate has a molecular weight of 233.74 g/mol, XLogP of 2.08, 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-chloroacetate is sourced from PubChem (CID 868423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).