2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid

C20H29NO4 — CID 23344692

IUPAC2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid
SMILESCCC1(C)CC(OC(=O)c2ccccc2C(=O)O)C(C)C(C)(CC)N1
InChIInChI=1S/C20H29NO4/c1-6-19(4)12-16(13(3)20(5,7-2)21-19)25-18(24)15-11-9-8-10-14(15)17(22)23/h8-11,13,16,21H,6-7,12H2,1-5H3,(H,22,23)
InChIKeyDSRYATUNDGAIEK-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.88
Rot. Bonds5

About 2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid

2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid (PubChem CID 23344692) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid.

Molecular Properties

Compound Name2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid
PubChem CID23344692
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid
SMILESCCC1(C)CC(OC(=O)c2ccccc2C(=O)O)C(C)C(C)(CC)N1
InChIInChI=1S/C20H29NO4/c1-6-19(4)12-16(13(3)20(5,7-2)21-19)25-18(24)15-11-9-8-10-14(15)17(22)23/h8-11,13,16,21H,6-7,12H2,1-5H3,(H,22,23)
InChIKeyDSRYATUNDGAIEK-UHFFFAOYSA-N
XLogP3.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate
CID 21330487
2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid
CID 5194167
N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-methylbenzamide
CID 57224733
2-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid
CID 18529176
(2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate
CID 23113033
2-[[(3R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-yl]oxycarbonyl]benzoic acid
CID 130359457
(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate
CID 10904615
2-[[(1S,5R,6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-yl]oxycarbonyl]benzoic acid
CID 155171240
2-[[(1S,2R,6R,8R,9R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl]oxycarbonyl]benzoic acid
CID 11152284
(6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate
CID 21330442
2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine
CID 21292179
bis(1,3-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate
CID 139789331

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid?
The IUPAC name of 2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid (CID 23344692) is 2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid.
What is the SMILES notation for 2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid?
The canonical SMILES for 2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid is CCC1(C)CC(OC(=O)c2ccccc2C(=O)O)C(C)C(C)(CC)N1.
What is the InChIKey of 2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid?
The InChIKey is DSRYATUNDGAIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-6-19(4)12-16(13(3)20(5,7-2)21-19)25-18(24)15-11-9-8-10-14(15)17(22)23/h8-11,13,16,21H,6-7,12H2,1-5H3,(H,22,23).
What are the key properties of 2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid?
2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid has a molecular weight of 347.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid is sourced from PubChem (CID 23344692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).