(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate

C13H24INO2 — CID 163664733

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate
SMILESCC(I)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C13H24INO2/c1-9(14)11(16)17-10-7-12(2,3)15(6)13(4,5)8-10/h9-10H,7-8H2,1-6H3
InChIKeyZDNPSLLJPKSOHA-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.00
Rot. Bonds2

About (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate

(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate (PubChem CID 163664733) has the molecular formula C13H24INO2 and a molecular weight of 353.24 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate
PubChem CID163664733
Molecular FormulaC13H24INO2
Molecular Weight353.24 g/mol
Exact Mass353.09
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate
SMILESCC(I)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C13H24INO2/c1-9(14)11(16)17-10-7-12(2,3)15(6)13(4,5)8-10/h9-10H,7-8H2,1-6H3
InChIKeyZDNPSLLJPKSOHA-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate (CID 163664733) is (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate is CC(I)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate?
The InChIKey is ZDNPSLLJPKSOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24INO2/c1-9(14)11(16)17-10-7-12(2,3)15(6)13(4,5)8-10/h9-10H,7-8H2,1-6H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate has a molecular weight of 353.24 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-iodopropanoate is sourced from PubChem (CID 163664733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).