1-methylpiperidine;oxalic acid

C8H15NO4 — CID 68812943

IUPAC1-methylpiperidine;oxalic acid
SMILESCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C6H13N.C2H2O4/c1-7-5-3-2-4-6-7;3-1(4)2(5)6/h2-6H2,1H3;(H,3,4)(H,5,6)
InChIKeyBOKWMAAFRMIAMM-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.26
Rot. Bonds

About 1-methylpiperidine;oxalic acid

1-methylpiperidine;oxalic acid (PubChem CID 68812943) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-methylpiperidine;oxalic acid.

Molecular Properties

Compound Name1-methylpiperidine;oxalic acid
PubChem CID68812943
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name1-methylpiperidine;oxalic acid
SMILESCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C6H13N.C2H2O4/c1-7-5-3-2-4-6-7;3-1(4)2(5)6/h2-6H2,1H3;(H,3,4)(H,5,6)
InChIKeyBOKWMAAFRMIAMM-UHFFFAOYSA-N
XLogP0.26
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methylpiperidine;oxalic acid?
The IUPAC name of 1-methylpiperidine;oxalic acid (CID 68812943) is 1-methylpiperidine;oxalic acid.
What is the SMILES notation for 1-methylpiperidine;oxalic acid?
The canonical SMILES for 1-methylpiperidine;oxalic acid is CN1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of 1-methylpiperidine;oxalic acid?
The InChIKey is BOKWMAAFRMIAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2H2O4/c1-7-5-3-2-4-6-7;3-1(4)2(5)6/h2-6H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-methylpiperidine;oxalic acid?
1-methylpiperidine;oxalic acid has a molecular weight of 189.21 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine;oxalic acid is sourced from PubChem (CID 68812943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).