2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid

C26H35NO9 — CID 126476640

IUPAC2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid
SMILESCOc1ccc(OC)c(C2NC(c3cc(OC)ccc3OC)C(C)C(C)(O)C2C)c1.O=C(O)C(=O)O
InChIInChI=1S/C24H33NO5.C2H2O4/c1-14-22(18-12-16(27-4)8-10-20(18)29-6)25-23(15(2)24(14,3)26)19-13-17(28-5)9-11-21(19)30-7;3-1(4)2(5)6/h8-15,22-23,25-26H,1-7H3;(H,3,4)(H,5,6)
InChIKeyYLJVLLNWSRUGGR-UHFFFAOYSA-N
MW505.56 g/mol
LogP3.29
Rot. Bonds6

About 2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid

2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid (PubChem CID 126476640) has the molecular formula C26H35NO9 and a molecular weight of 505.56 g/mol. Its IUPAC name is 2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid.

Molecular Properties

Compound Name2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid
PubChem CID126476640
Molecular FormulaC26H35NO9
Molecular Weight505.56 g/mol
Exact Mass505.23
IUPAC Name2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid
SMILESCOc1ccc(OC)c(C2NC(c3cc(OC)ccc3OC)C(C)C(C)(O)C2C)c1.O=C(O)C(=O)O
InChIInChI=1S/C24H33NO5.C2H2O4/c1-14-22(18-12-16(27-4)8-10-20(18)29-6)25-23(15(2)24(14,3)26)19-13-17(28-5)9-11-21(19)30-7;3-1(4)2(5)6/h8-15,22-23,25-26H,1-7H3;(H,3,4)(H,5,6)
InChIKeyYLJVLLNWSRUGGR-UHFFFAOYSA-N
XLogP3.29
TPSA143.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.56
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid?
The IUPAC name of 2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid (CID 126476640) is 2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid.
What is the SMILES notation for 2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid?
The canonical SMILES for 2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid is COc1ccc(OC)c(C2NC(c3cc(OC)ccc3OC)C(C)C(C)(O)C2C)c1.O=C(O)C(=O)O.
What is the InChIKey of 2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid?
The InChIKey is YLJVLLNWSRUGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO5.C2H2O4/c1-14-22(18-12-16(27-4)8-10-20(18)29-6)25-23(15(2)24(14,3)26)19-13-17(28-5)9-11-21(19)30-7;3-1(4)2(5)6/h8-15,22-23,25-26H,1-7H3;(H,3,4)(H,5,6).
What are the key properties of 2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid?
2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid has a molecular weight of 505.56 g/mol, XLogP of 3.29, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid is sourced from PubChem (CID 126476640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).