1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid

C24H32N2O8 — CID 17367216

IUPAC1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
SMILESCOc1ccccc1CN1CCN(Cc2cc(OC)c(OC)cc2OC)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H30N2O4.C2H2O4/c1-25-19-8-6-5-7-17(19)15-23-9-11-24(12-10-23)16-18-13-21(27-3)22(28-4)14-20(18)26-2;3-1(4)2(5)6/h5-8,13-14H,9-12,15-16H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyIGKCZRXTKKQJDK-UHFFFAOYSA-N
MW476.53 g/mol
LogP2.19
Rot. Bonds8

About 1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid

1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid (PubChem CID 17367216) has the molecular formula C24H32N2O8 and a molecular weight of 476.53 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
PubChem CID17367216
Molecular FormulaC24H32N2O8
Molecular Weight476.53 g/mol
Exact Mass476.22
IUPAC Name1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
SMILESCOc1ccccc1CN1CCN(Cc2cc(OC)c(OC)cc2OC)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H30N2O4.C2H2O4/c1-25-19-8-6-5-7-17(19)15-23-9-11-24(12-10-23)16-18-13-21(27-3)22(28-4)14-20(18)26-2;3-1(4)2(5)6/h5-8,13-14H,9-12,15-16H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyIGKCZRXTKKQJDK-UHFFFAOYSA-N
XLogP2.19
TPSA118.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 52.19
H-Bond Donors ≤ 52
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 1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid (CID 17367216) is 1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid is COc1ccccc1CN1CCN(Cc2cc(OC)c(OC)cc2OC)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid?
The InChIKey is IGKCZRXTKKQJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4.C2H2O4/c1-25-19-8-6-5-7-17(19)15-23-9-11-24(12-10-23)16-18-13-21(27-3)22(28-4)14-20(18)26-2;3-1(4)2(5)6/h5-8,13-14H,9-12,15-16H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid?
1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid has a molecular weight of 476.53 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid is sourced from PubChem (CID 17367216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).