iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate

C10H18INO3 — CID 163508092

IUPACiodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate
SMILESCC1(C)CC(OC(=O)OI)CC(C)(C)N1
InChIInChI=1S/C10H18INO3/c1-9(2)5-7(14-8(13)15-11)6-10(3,4)12-9/h7,12H,5-6H2,1-4H3
InChIKeyDAHQXYAIMOWOMY-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.80
Rot. Bonds1

About iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate

iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate (PubChem CID 163508092) has the molecular formula C10H18INO3 and a molecular weight of 327.16 g/mol. Its IUPAC name is iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate.

Molecular Properties

Compound Nameiodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate
PubChem CID163508092
Molecular FormulaC10H18INO3
Molecular Weight327.16 g/mol
Exact Mass327.03
IUPAC Nameiodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate
SMILESCC1(C)CC(OC(=O)OI)CC(C)(C)N1
InChIInChI=1S/C10H18INO3/c1-9(2)5-7(14-8(13)15-11)6-10(3,4)12-9/h7,12H,5-6H2,1-4H3
InChIKeyDAHQXYAIMOWOMY-UHFFFAOYSA-N
XLogP2.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate
CID 22761497
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
(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate
CID 162509434
(2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate
CID 87076911
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
CID 161160145
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate
CID 21330422
bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2-dicarboxylate
CID 70594525
5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid
CID 70231600
tris(2,2,7,7-tetramethylazepan-4-yl) benzene-1,3,5-tricarboxylate
CID 122415009
bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate
CID 118874290

Frequently Asked Questions

What is the IUPAC name of iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate?
The IUPAC name of iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate (CID 163508092) is iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate.
What is the SMILES notation for iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate?
The canonical SMILES for iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate is CC1(C)CC(OC(=O)OI)CC(C)(C)N1.
What is the InChIKey of iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate?
The InChIKey is DAHQXYAIMOWOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18INO3/c1-9(2)5-7(14-8(13)15-11)6-10(3,4)12-9/h7,12H,5-6H2,1-4H3.
What are the key properties of iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate?
iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate has a molecular weight of 327.16 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate is sourced from PubChem (CID 163508092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).