4-(ethoxymethyl)piperidine;oxalic acid

C10H19NO5 — CID 17390069

IUPAC4-(ethoxymethyl)piperidine;oxalic acid
SMILESCCOCC1CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C8H17NO.C2H2O4/c1-2-10-7-8-3-5-9-6-4-8;3-1(4)2(5)6/h8-9H,2-7H2,1H3;(H,3,4)(H,5,6)
InChIKeyPVXBPPXWNOZNOF-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.18
Rot. Bonds3

About 4-(ethoxymethyl)piperidine;oxalic acid

4-(ethoxymethyl)piperidine;oxalic acid (PubChem CID 17390069) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-(ethoxymethyl)piperidine;oxalic acid.

Molecular Properties

Compound Name4-(ethoxymethyl)piperidine;oxalic acid
PubChem CID17390069
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name4-(ethoxymethyl)piperidine;oxalic acid
SMILESCCOCC1CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C8H17NO.C2H2O4/c1-2-10-7-8-3-5-9-6-4-8;3-1(4)2(5)6/h8-9H,2-7H2,1H3;(H,3,4)(H,5,6)
InChIKeyPVXBPPXWNOZNOF-UHFFFAOYSA-N
XLogP0.18
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-(ethoxymethyl)piperidine;oxalic acid?
The IUPAC name of 4-(ethoxymethyl)piperidine;oxalic acid (CID 17390069) is 4-(ethoxymethyl)piperidine;oxalic acid.
What is the SMILES notation for 4-(ethoxymethyl)piperidine;oxalic acid?
The canonical SMILES for 4-(ethoxymethyl)piperidine;oxalic acid is CCOCC1CCNCC1.O=C(O)C(=O)O.
What is the InChIKey of 4-(ethoxymethyl)piperidine;oxalic acid?
The InChIKey is PVXBPPXWNOZNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C2H2O4/c1-2-10-7-8-3-5-9-6-4-8;3-1(4)2(5)6/h8-9H,2-7H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-(ethoxymethyl)piperidine;oxalic acid?
4-(ethoxymethyl)piperidine;oxalic acid has a molecular weight of 233.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)piperidine;oxalic acid is sourced from PubChem (CID 17390069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).