1-ethylpiperidine;oxalic acid

C11H19NO8 — CID 157184471

IUPAC1-ethylpiperidine;oxalic acid
SMILESCCN1CCCCC1.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C7H15N.2C2H2O4/c1-2-8-6-4-3-5-7-8;2*3-1(4)2(5)6/h2-7H2,1H3;2*(H,3,4)(H,5,6)
InChIKeyAOYNRAYKYFLZIE-UHFFFAOYSA-N
MW293.27 g/mol
LogP-0.20
Rot. Bonds1

About 1-ethylpiperidine;oxalic acid

1-ethylpiperidine;oxalic acid (PubChem CID 157184471) has the molecular formula C11H19NO8 and a molecular weight of 293.27 g/mol. Its IUPAC name is 1-ethylpiperidine;oxalic acid.

Molecular Properties

Compound Name1-ethylpiperidine;oxalic acid
PubChem CID157184471
Molecular FormulaC11H19NO8
Molecular Weight293.27 g/mol
Exact Mass293.11
IUPAC Name1-ethylpiperidine;oxalic acid
SMILESCCN1CCCCC1.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C7H15N.2C2H2O4/c1-2-8-6-4-3-5-7-8;2*3-1(4)2(5)6/h2-7H2,1H3;2*(H,3,4)(H,5,6)
InChIKeyAOYNRAYKYFLZIE-UHFFFAOYSA-N
XLogP-0.20
TPSA152.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
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-ethylpiperidine;oxalic acid?
The IUPAC name of 1-ethylpiperidine;oxalic acid (CID 157184471) is 1-ethylpiperidine;oxalic acid.
What is the SMILES notation for 1-ethylpiperidine;oxalic acid?
The canonical SMILES for 1-ethylpiperidine;oxalic acid is CCN1CCCCC1.O=C(O)C(=O)O.O=C(O)C(=O)O.
What is the InChIKey of 1-ethylpiperidine;oxalic acid?
The InChIKey is AOYNRAYKYFLZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.2C2H2O4/c1-2-8-6-4-3-5-7-8;2*3-1(4)2(5)6/h2-7H2,1H3;2*(H,3,4)(H,5,6).
What are the key properties of 1-ethylpiperidine;oxalic acid?
1-ethylpiperidine;oxalic acid has a molecular weight of 293.27 g/mol, XLogP of -0.20, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine;oxalic acid is sourced from PubChem (CID 157184471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).