oxalic acid;1-propylpiperidine

C10H19NO4 — CID 157108548

IUPACoxalic acid;1-propylpiperidine
SMILESCCCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C8H17N.C2H2O4/c1-2-6-9-7-4-3-5-8-9;3-1(4)2(5)6/h2-8H2,1H3;(H,3,4)(H,5,6)
InChIKeyAGOSURBTSVITQJ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.04
Rot. Bonds2

About oxalic acid;1-propylpiperidine

oxalic acid;1-propylpiperidine (PubChem CID 157108548) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is oxalic acid;1-propylpiperidine.

Molecular Properties

Compound Nameoxalic acid;1-propylpiperidine
PubChem CID157108548
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameoxalic acid;1-propylpiperidine
SMILESCCCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C8H17N.C2H2O4/c1-2-6-9-7-4-3-5-8-9;3-1(4)2(5)6/h2-8H2,1H3;(H,3,4)(H,5,6)
InChIKeyAGOSURBTSVITQJ-UHFFFAOYSA-N
XLogP1.04
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.04
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 oxalic acid;1-propylpiperidine?
The IUPAC name of oxalic acid;1-propylpiperidine (CID 157108548) is oxalic acid;1-propylpiperidine.
What is the SMILES notation for oxalic acid;1-propylpiperidine?
The canonical SMILES for oxalic acid;1-propylpiperidine is CCCN1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-propylpiperidine?
The InChIKey is AGOSURBTSVITQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2H2O4/c1-2-6-9-7-4-3-5-8-9;3-1(4)2(5)6/h2-8H2,1H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-propylpiperidine?
oxalic acid;1-propylpiperidine has a molecular weight of 217.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-propylpiperidine is sourced from PubChem (CID 157108548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).