diethyl piperidine-1,4-dicarboxylate

C11H19NO4 — CID 23084679

IUPACdiethyl piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OCC)CC1
InChIInChI=1S/C11H19NO4/c1-3-15-10(13)9-5-7-12(8-6-9)11(14)16-4-2/h9H,3-8H2,1-2H3
InChIKeyHTGQADRJVAFFPH-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.42
Rot. Bonds3

About diethyl piperidine-1,4-dicarboxylate

diethyl piperidine-1,4-dicarboxylate (PubChem CID 23084679) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is diethyl piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Namediethyl piperidine-1,4-dicarboxylate
PubChem CID23084679
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namediethyl piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OCC)CC1
InChIInChI=1S/C11H19NO4/c1-3-15-10(13)9-5-7-12(8-6-9)11(14)16-4-2/h9H,3-8H2,1-2H3
InChIKeyHTGQADRJVAFFPH-UHFFFAOYSA-N
XLogP1.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl piperidine-1,4-dicarboxylate?
The IUPAC name of diethyl piperidine-1,4-dicarboxylate (CID 23084679) is diethyl piperidine-1,4-dicarboxylate.
What is the SMILES notation for diethyl piperidine-1,4-dicarboxylate?
The canonical SMILES for diethyl piperidine-1,4-dicarboxylate is CCOC(=O)C1CCN(C(=O)OCC)CC1.
What is the InChIKey of diethyl piperidine-1,4-dicarboxylate?
The InChIKey is HTGQADRJVAFFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-15-10(13)9-5-7-12(8-6-9)11(14)16-4-2/h9H,3-8H2,1-2H3.
What are the key properties of diethyl piperidine-1,4-dicarboxylate?
diethyl piperidine-1,4-dicarboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl piperidine-1,4-dicarboxylate is sourced from PubChem (CID 23084679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).