1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid

C16H22Cl2N2O6 — CID 6456581

IUPAC1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid
SMILESClc1cccc(OCCOCCN2CCNCC2)c1Cl.O=C(O)C(=O)O
InChIInChI=1S/C14H20Cl2N2O2.C2H2O4/c15-12-2-1-3-13(14(12)16)20-11-10-19-9-8-18-6-4-17-5-7-18;3-1(4)2(5)6/h1-3,17H,4-11H2;(H,3,4)(H,5,6)
InChIKeyQXGQYNOGARULFW-UHFFFAOYSA-N
MW409.27 g/mol
LogP1.45
Rot. Bonds7

About 1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid

1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid (PubChem CID 6456581) has the molecular formula C16H22Cl2N2O6 and a molecular weight of 409.27 g/mol. Its IUPAC name is 1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid
PubChem CID6456581
Molecular FormulaC16H22Cl2N2O6
Molecular Weight409.27 g/mol
Exact Mass408.09
IUPAC Name1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid
SMILESClc1cccc(OCCOCCN2CCNCC2)c1Cl.O=C(O)C(=O)O
InChIInChI=1S/C14H20Cl2N2O2.C2H2O4/c15-12-2-1-3-13(14(12)16)20-11-10-19-9-8-18-6-4-17-5-7-18;3-1(4)2(5)6/h1-3,17H,4-11H2;(H,3,4)(H,5,6)
InChIKeyQXGQYNOGARULFW-UHFFFAOYSA-N
XLogP1.45
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid?
The IUPAC name of 1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid (CID 6456581) is 1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid.
What is the SMILES notation for 1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid?
The canonical SMILES for 1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid is Clc1cccc(OCCOCCN2CCNCC2)c1Cl.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid?
The InChIKey is QXGQYNOGARULFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2.C2H2O4/c15-12-2-1-3-13(14(12)16)20-11-10-19-9-8-18-6-4-17-5-7-18;3-1(4)2(5)6/h1-3,17H,4-11H2;(H,3,4)(H,5,6).
What are the key properties of 1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid?
1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid has a molecular weight of 409.27 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]piperazine;oxalic acid is sourced from PubChem (CID 6456581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).