1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid

C16H22Cl2N2O5 — CID 2960866

IUPAC1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid
SMILESCCN1CCN(CCOc2cccc(Cl)c2Cl)CC1.O=C(O)C(=O)O
InChIInChI=1S/C14H20Cl2N2O.C2H2O4/c1-2-17-6-8-18(9-7-17)10-11-19-13-5-3-4-12(15)14(13)16;3-1(4)2(5)6/h3-5H,2,6-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyBEVGLIUIYOJLLL-UHFFFAOYSA-N
MW393.27 g/mol
LogP2.17
Rot. Bonds5

About 1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid

1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid (PubChem CID 2960866) has the molecular formula C16H22Cl2N2O5 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid
PubChem CID2960866
Molecular FormulaC16H22Cl2N2O5
Molecular Weight393.27 g/mol
Exact Mass392.09
IUPAC Name1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid
SMILESCCN1CCN(CCOc2cccc(Cl)c2Cl)CC1.O=C(O)C(=O)O
InChIInChI=1S/C14H20Cl2N2O.C2H2O4/c1-2-17-6-8-18(9-7-17)10-11-19-13-5-3-4-12(15)14(13)16;3-1(4)2(5)6/h3-5H,2,6-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyBEVGLIUIYOJLLL-UHFFFAOYSA-N
XLogP2.17
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-T-Triethylammonium
CID 16182
1-[4-(2-Chlorophenoxy)butyl]piperazine oxalate
CID 2924265
4-[4-(4-Chlorophenoxy)-2-butyn-1-yl]morpholine oxalate
CID 2961620
4-[2-(3-Chlorophenoxy)ethyl]morpholine ethanedioate
CID 644755
1-[2-(2,4-Dichlorophenoxy)ethyl]piperidine oxalate
CID 2847926
1-[4-(2,6-Dichlorophenoxy)butyl]piperidine oxalate
CID 2865344
1-[2-(3,4-Dichlorophenoxy)ethyl]piperidine oxalate
CID 2923281
1-[2-(3,4-Dichlorophenoxy)ethyl]-4-methylpiperazine oxalate
CID 2923730
[2-(3-Chlorophenoxy)ethyl]dimethylamine oxalate
CID 2934029
4-[2-(3,4-Dichlorophenoxy)ethyl]-2,6-dimethylmorpholine oxalate
CID 2934179
1-[2-(2,4-Dichlorophenoxy)ethyl]-3,5-dimethylpiperidine oxalate
CID 2934364
1-[2-(2,3-Dichlorophenoxy)ethyl]-3,5-dimethylpiperidine oxalate
CID 2934437

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid?
The IUPAC name of 1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid (CID 2960866) is 1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid.
What is the SMILES notation for 1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid?
The canonical SMILES for 1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid is CCN1CCN(CCOc2cccc(Cl)c2Cl)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid?
The InChIKey is BEVGLIUIYOJLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O.C2H2O4/c1-2-17-6-8-18(9-7-17)10-11-19-13-5-3-4-12(15)14(13)16;3-1(4)2(5)6/h3-5H,2,6-11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid?
1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid has a molecular weight of 393.27 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichlorophenoxy)ethyl]-4-ethylpiperazine;oxalic acid is sourced from PubChem (CID 2960866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).