benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine

C21H29NO8 — CID 23161986

IUPACbenzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine
SMILESCC1CC(C)(C)N(C)C(C)(C)C1.O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O
InChIInChI=1S/C11H23N.C10H6O8/c1-9-7-10(2,3)12(6)11(4,5)8-9;11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h9H,7-8H2,1-6H3;1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKeyVIYRXEGWGMAHOK-UHFFFAOYSA-N
MW423.46 g/mol
LogP3.38
Rot. Bonds4

About benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine

benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine (PubChem CID 23161986) has the molecular formula C21H29NO8 and a molecular weight of 423.46 g/mol. Its IUPAC name is benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine.

Molecular Properties

Compound Namebenzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine
PubChem CID23161986
Molecular FormulaC21H29NO8
Molecular Weight423.46 g/mol
Exact Mass423.19
IUPAC Namebenzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine
SMILESCC1CC(C)(C)N(C)C(C)(C)C1.O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O
InChIInChI=1S/C11H23N.C10H6O8/c1-9-7-10(2,3)12(6)11(4,5)8-9;11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h9H,7-8H2,1-6H3;1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKeyVIYRXEGWGMAHOK-UHFFFAOYSA-N
XLogP3.38
TPSA152.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine?
The IUPAC name of benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine (CID 23161986) is benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine.
What is the SMILES notation for benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine?
The canonical SMILES for benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine is CC1CC(C)(C)N(C)C(C)(C)C1.O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.
What is the InChIKey of benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine?
The InChIKey is VIYRXEGWGMAHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C10H6O8/c1-9-7-10(2,3)12(6)11(4,5)8-9;11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h9H,7-8H2,1-6H3;1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18).
What are the key properties of benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine?
benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine has a molecular weight of 423.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine is sourced from PubChem (CID 23161986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).