1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid

C23H30N2O6 — CID 17366951

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid
SMILESCOc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C21H28N2O2.C2H2O4/c1-17-4-6-18(7-5-17)15-22-10-12-23(13-11-22)16-19-8-9-20(24-2)14-21(19)25-3;3-1(4)2(5)6/h4-9,14H,10-13,15-16H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUCSYPIZAKJGVKG-UHFFFAOYSA-N
MW430.50 g/mol
LogP2.49
Rot. Bonds6

About 1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid

1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid (PubChem CID 17366951) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid
PubChem CID17366951
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid
SMILESCOc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C21H28N2O2.C2H2O4/c1-17-4-6-18(7-5-17)15-22-10-12-23(13-11-22)16-19-8-9-20(24-2)14-21(19)25-3;3-1(4)2(5)6/h4-9,14H,10-13,15-16H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUCSYPIZAKJGVKG-UHFFFAOYSA-N
XLogP2.49
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid (CID 17366951) is 1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid is COc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)c(OC)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid?
The InChIKey is UCSYPIZAKJGVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.C2H2O4/c1-17-4-6-18(7-5-17)15-22-10-12-23(13-11-22)16-19-8-9-20(24-2)14-21(19)25-3;3-1(4)2(5)6/h4-9,14H,10-13,15-16H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid?
1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid has a molecular weight of 430.50 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid is sourced from PubChem (CID 17366951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).