1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid

C21H32N2O6 — CID 2923874

IUPAC1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
SMILESC=CCc1cc(C)ccc1OCCOCCN1CCN(C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2O2.C2H2O4/c1-4-5-18-16-17(2)6-7-19(18)23-15-14-22-13-12-21-10-8-20(3)9-11-21;3-1(4)2(5)6/h4,6-7,16H,1,5,8-15H2,2-3H3;(H,3,4)(H,5,6)
InChIKeyXGWRAINUJYBJFF-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.52
Rot. Bonds9

About 1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid

1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid (PubChem CID 2923874) has the molecular formula C21H32N2O6 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
PubChem CID2923874
Molecular FormulaC21H32N2O6
Molecular Weight408.50 g/mol
Exact Mass408.23
IUPAC Name1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
SMILESC=CCc1cc(C)ccc1OCCOCCN1CCN(C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2O2.C2H2O4/c1-4-5-18-16-17(2)6-7-19(18)23-15-14-22-13-12-21-10-8-20(3)9-11-21;3-1(4)2(5)6/h4,6-7,16H,1,5,8-15H2,2-3H3;(H,3,4)(H,5,6)
InChIKeyXGWRAINUJYBJFF-UHFFFAOYSA-N
XLogP1.52
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Morpholine, 4-((2,4-dimethylphenoxy)acetyl)-
CID 876380
4-{2-[2-(2-Biphenylyloxy)ethoxy]ethyl}morpholine oxalate
CID 2923755
4-[2-(2,6-Dimethylphenoxy)ethyl]morpholine oxalate
CID 2848544
1-[4-(2,6-Dimethylphenoxy)butyl]piperazine oxalate
CID 2943979
4-Methylphenyl 6-(1-piperazinyl)hexyl ether
CID 23723896
4-[5-(4-Allyl-2-methoxyphenoxy)pentyl]morpholine
CID 3244531
4-[5-(4-Isopropylphenoxy)pentyl]morpholine
CID 24761434
1-[4-(4-Isopropylphenoxy)butyl]piperidine
CID 24792262
1-[2-[2-(2,6-Dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2269434
Ethyl 4-[3-(2-allylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 2770589
Ethyl 4-[2-hydroxy-3-(mesityloxy)propyl]piperazine-1-carboxylate
CID 2770635
1-[3-(2,4-Dimethylphenoxy)propyl]pyrrolidine oxalate
CID 2843683

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid?
The IUPAC name of 1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid (CID 2923874) is 1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid.
What is the SMILES notation for 1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid?
The canonical SMILES for 1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid is C=CCc1cc(C)ccc1OCCOCCN1CCN(C)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid?
The InChIKey is XGWRAINUJYBJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.C2H2O4/c1-4-5-18-16-17(2)6-7-19(18)23-15-14-22-13-12-21-10-8-20(3)9-11-21;3-1(4)2(5)6/h4,6-7,16H,1,5,8-15H2,2-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid?
1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid has a molecular weight of 408.50 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]piperazine;oxalic acid is sourced from PubChem (CID 2923874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).