1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid

C17H25NO6 — CID 2922768

IUPAC1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid
SMILESCCOc1ccc(OCCN2CCCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H23NO2.C2H2O4/c1-2-17-14-6-8-15(9-7-14)18-13-12-16-10-4-3-5-11-16;3-1(4)2(5)6/h6-9H,2-5,10-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyQIUIUJAKLICUFR-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.11
Rot. Bonds6

About 1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid

1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid (PubChem CID 2922768) has the molecular formula C17H25NO6 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid
PubChem CID2922768
Molecular FormulaC17H25NO6
Molecular Weight339.39 g/mol
Exact Mass339.17
IUPAC Name1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid
SMILESCCOc1ccc(OCCN2CCCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H23NO2.C2H2O4/c1-2-17-14-6-8-15(9-7-14)18-13-12-16-10-4-3-5-11-16;3-1(4)2(5)6/h6-9H,2-5,10-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyQIUIUJAKLICUFR-UHFFFAOYSA-N
XLogP2.11
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid?
The IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid (CID 2922768) is 1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid.
What is the SMILES notation for 1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid?
The canonical SMILES for 1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid is CCOc1ccc(OCCN2CCCCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid?
The InChIKey is QIUIUJAKLICUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.C2H2O4/c1-2-17-14-6-8-15(9-7-14)18-13-12-16-10-4-3-5-11-16;3-1(4)2(5)6/h6-9H,2-5,10-13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid?
1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid has a molecular weight of 339.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenoxy)ethyl]piperidine;oxalic acid is sourced from PubChem (CID 2922768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).