1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid

C16H24N2O6 — CID 2944385

IUPAC1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
SMILESCCOc1cccc(OCCN2CCNCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C14H22N2O2.C2H2O4/c1-2-17-13-4-3-5-14(12-13)18-11-10-16-8-6-15-7-9-16;3-1(4)2(5)6/h3-5,12,15H,2,6-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyFKKYVODHQUVNLW-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.52
Rot. Bonds6

About 1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid

1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid (PubChem CID 2944385) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
PubChem CID2944385
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Name1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
SMILESCCOc1cccc(OCCN2CCNCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C14H22N2O2.C2H2O4/c1-2-17-13-4-3-5-14(12-13)18-11-10-16-8-6-15-7-9-16;3-1(4)2(5)6/h3-5,12,15H,2,6-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyFKKYVODHQUVNLW-UHFFFAOYSA-N
XLogP0.52
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
CID 2943850
4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934905
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
oxalic acid;1-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine
CID 2944466
1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane
CID 43162465
[3-(2-piperazin-1-ylethoxy)phenyl]methanamine
CID 143132043
N-(2-piperazin-1-ylethyl)-3-propoxybenzamide
CID 62050340
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
1-ethyl-4-[2-(3-propoxyphenoxy)ethyl]piperazine
CID 2215919
1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82267623
1-[2-(3-bromophenoxy)ethyl]piperidine;oxalic acid
CID 2924023
oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine
CID 2943786

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid?
The IUPAC name of 1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid (CID 2944385) is 1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid.
What is the SMILES notation for 1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid?
The canonical SMILES for 1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid is CCOc1cccc(OCCN2CCNCC2)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid?
The InChIKey is FKKYVODHQUVNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.C2H2O4/c1-2-17-13-4-3-5-14(12-13)18-11-10-16-8-6-15-7-9-16;3-1(4)2(5)6/h3-5,12,15H,2,6-11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid?
1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid has a molecular weight of 340.38 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid is sourced from PubChem (CID 2944385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).