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

C16H24N2O6 — CID 171151305

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
SMILESCOc1ccc(CN2CCN(C)CC2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C14H22N2O2.C2H2O4/c1-15-6-8-16(9-7-15)11-12-4-5-13(17-2)10-14(12)18-3;3-1(4)2(5)6/h4-5,10H,6-9,11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyOLYAGVXSBPNQFE-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.61
Rot. Bonds4

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

1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid (PubChem CID 171151305) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
PubChem CID171151305
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
SMILESCOc1ccc(CN2CCN(C)CC2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C14H22N2O2.C2H2O4/c1-15-6-8-16(9-7-15)11-12-4-5-13(17-2)10-14(12)18-3;3-1(4)2(5)6/h4-5,10H,6-9,11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyOLYAGVXSBPNQFE-UHFFFAOYSA-N
XLogP0.61
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethoxyphenyl)-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17384983
1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17367259
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 51119412
1-[5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 72857305
5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]aniline
CID 59353063
1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 24761997
2-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 84556181
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
2-(2,4-dimethoxyphenyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 39948329
1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 17385208

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid (CID 171151305) is 1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid is COc1ccc(CN2CCN(C)CC2)c(OC)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid?
The InChIKey is OLYAGVXSBPNQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.C2H2O4/c1-15-6-8-16(9-7-15)11-12-4-5-13(17-2)10-14(12)18-3;3-1(4)2(5)6/h4-5,10H,6-9,11H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid?
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid has a molecular weight of 340.38 g/mol, XLogP of 0.61, 4 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-methylpiperazine;oxalic acid is sourced from PubChem (CID 171151305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).