2-methyl-6-piperidin-4-yloxypyridine;oxalic acid

C13H18N2O5 — CID 72716197

IUPAC2-methyl-6-piperidin-4-yloxypyridine;oxalic acid
SMILESCc1cccc(OC2CCNCC2)n1.O=C(O)C(=O)O
InChIInChI=1S/C11H16N2O.C2H2O4/c1-9-3-2-4-11(13-9)14-10-5-7-12-8-6-10;3-1(4)2(5)6/h2-4,10,12H,5-8H2,1H3;(H,3,4)(H,5,6)
InChIKeyUMHIAJZEOKIHJL-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.68
Rot. Bonds2

About 2-methyl-6-piperidin-4-yloxypyridine;oxalic acid

2-methyl-6-piperidin-4-yloxypyridine;oxalic acid (PubChem CID 72716197) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-methyl-6-piperidin-4-yloxypyridine;oxalic acid.

Molecular Properties

Compound Name2-methyl-6-piperidin-4-yloxypyridine;oxalic acid
PubChem CID72716197
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-methyl-6-piperidin-4-yloxypyridine;oxalic acid
SMILESCc1cccc(OC2CCNCC2)n1.O=C(O)C(=O)O
InChIInChI=1S/C11H16N2O.C2H2O4/c1-9-3-2-4-11(13-9)14-10-5-7-12-8-6-10;3-1(4)2(5)6/h2-4,10,12H,5-8H2,1H3;(H,3,4)(H,5,6)
InChIKeyUMHIAJZEOKIHJL-UHFFFAOYSA-N
XLogP0.68
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.68
H-Bond Donors ≤ 53
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 2-methyl-6-piperidin-4-yloxypyridine;oxalic acid?
The IUPAC name of 2-methyl-6-piperidin-4-yloxypyridine;oxalic acid (CID 72716197) is 2-methyl-6-piperidin-4-yloxypyridine;oxalic acid.
What is the SMILES notation for 2-methyl-6-piperidin-4-yloxypyridine;oxalic acid?
The canonical SMILES for 2-methyl-6-piperidin-4-yloxypyridine;oxalic acid is Cc1cccc(OC2CCNCC2)n1.O=C(O)C(=O)O.
What is the InChIKey of 2-methyl-6-piperidin-4-yloxypyridine;oxalic acid?
The InChIKey is UMHIAJZEOKIHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C2H2O4/c1-9-3-2-4-11(13-9)14-10-5-7-12-8-6-10;3-1(4)2(5)6/h2-4,10,12H,5-8H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-methyl-6-piperidin-4-yloxypyridine;oxalic acid?
2-methyl-6-piperidin-4-yloxypyridine;oxalic acid has a molecular weight of 282.30 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-4-yloxypyridine;oxalic acid is sourced from PubChem (CID 72716197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).