1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid

C17H24Cl2N2O6 — CID 2923393

IUPAC1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
SMILESCc1cc(Cl)c(OCCOCCN2CCNCC2)c(Cl)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H22Cl2N2O2.C2H2O4/c1-12-10-13(16)15(14(17)11-12)21-9-8-20-7-6-19-4-2-18-3-5-19;3-1(4)2(5)6/h10-11,18H,2-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyRPYXKAOVDQLDSE-UHFFFAOYSA-N
MW423.29 g/mol
LogP1.76
Rot. Bonds7

About 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid

1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid (PubChem CID 2923393) has the molecular formula C17H24Cl2N2O6 and a molecular weight of 423.29 g/mol. Its IUPAC name is 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
PubChem CID2923393
Molecular FormulaC17H24Cl2N2O6
Molecular Weight423.29 g/mol
Exact Mass422.10
IUPAC Name1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
SMILESCc1cc(Cl)c(OCCOCCN2CCNCC2)c(Cl)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H22Cl2N2O2.C2H2O4/c1-12-10-13(16)15(14(17)11-12)21-9-8-20-7-6-19-4-2-18-3-5-19;3-1(4)2(5)6/h10-11,18H,2-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyRPYXKAOVDQLDSE-UHFFFAOYSA-N
XLogP1.76
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-Chloro-6-methylphenoxy)propyl]morpholine oxalate
CID 2853099
1-{2-[2-(2-Chloro-4,6-dimethylphenoxy)ethoxy]ethyl}-4-methylpiperazine oxalate
CID 2888760
1-{2-[2-(2-Bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl}-4-methylpiperazine oxalate
CID 2922233
N-benzyl-2-[2-(2,6-dichlorophenoxy)ethoxy]ethanamine oxalate
CID 2934526
[2-(2-Allyl-4-chlorophenoxy)ethyl][2-(4-morpholinyl)ethyl]amine oxalate
CID 2977639
1-Methyl-4-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid
CID 2887978
{2-[2-(2-Chloro-4-methylphenoxy)ethoxy]ethyl}dimethylamine oxalate
CID 2934202
{2-[2-(2,4-Dichloro-6-methylphenoxy)ethoxy]ethyl}dimethylamine oxalate
CID 2935189
1-{2-[2-(2,3-Dichlorophenoxy)ethoxy]ethyl}piperazine
CID 6456581
N-allyl-N-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]amine
CID 15945747
2,4-D, diethanolamine salt mixture with Mecoprop, diethanolamine salt (1:1)
CID 198686
Cambridge id 7011245
CID 2299248

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid?
The IUPAC name of 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid (CID 2923393) is 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid.
What is the SMILES notation for 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid?
The canonical SMILES for 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid is Cc1cc(Cl)c(OCCOCCN2CCNCC2)c(Cl)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid?
The InChIKey is RPYXKAOVDQLDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2.C2H2O4/c1-12-10-13(16)15(14(17)11-12)21-9-8-20-7-6-19-4-2-18-3-5-19;3-1(4)2(5)6/h10-11,18H,2-9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid?
1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid has a molecular weight of 423.29 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid is sourced from PubChem (CID 2923393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).