4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate

C12H19NO4 — CID 60700272

IUPAC4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
SMILESC=CCOC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C12H19NO4/c1-3-9-17-12(15)13-7-5-10(6-8-13)11(14)16-4-2/h3,10H,1,4-9H2,2H3
InChIKeyJPPZYAYFZVNKRX-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.58
Rot. Bonds4

About 4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate

4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate (PubChem CID 60700272) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
PubChem CID60700272
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
SMILESC=CCOC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C12H19NO4/c1-3-9-17-12(15)13-7-5-10(6-8-13)11(14)16-4-2/h3,10H,1,4-9H2,2H3
InChIKeyJPPZYAYFZVNKRX-UHFFFAOYSA-N
XLogP1.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate?
The IUPAC name of 4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate (CID 60700272) is 4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate?
The canonical SMILES for 4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate is C=CCOC(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of 4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate?
The InChIKey is JPPZYAYFZVNKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-3-9-17-12(15)13-7-5-10(6-8-13)11(14)16-4-2/h3,10H,1,4-9H2,2H3.
What are the key properties of 4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate?
4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate is sourced from PubChem (CID 60700272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).