ethyl 4-prop-2-enylpiperidine-4-carboxylate

C11H19NO2 — CID 22097570

IUPACethyl 4-prop-2-enylpiperidine-4-carboxylate
SMILESC=CCC1(C(=O)OCC)CCNCC1
InChIInChI=1S/C11H19NO2/c1-3-5-11(10(13)14-4-2)6-8-12-9-7-11/h3,12H,1,4-9H2,2H3
InChIKeyROYXOEDYIVTQDH-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.50
Rot. Bonds4

About ethyl 4-prop-2-enylpiperidine-4-carboxylate

ethyl 4-prop-2-enylpiperidine-4-carboxylate (PubChem CID 22097570) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl 4-prop-2-enylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-prop-2-enylpiperidine-4-carboxylate
PubChem CID22097570
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl 4-prop-2-enylpiperidine-4-carboxylate
SMILESC=CCC1(C(=O)OCC)CCNCC1
InChIInChI=1S/C11H19NO2/c1-3-5-11(10(13)14-4-2)6-8-12-9-7-11/h3,12H,1,4-9H2,2H3
InChIKeyROYXOEDYIVTQDH-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 4-prop-2-enylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-prop-2-enylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-prop-2-enylpiperidine-4-carboxylate (CID 22097570) is ethyl 4-prop-2-enylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-prop-2-enylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-prop-2-enylpiperidine-4-carboxylate is C=CCC1(C(=O)OCC)CCNCC1.
What is the InChIKey of ethyl 4-prop-2-enylpiperidine-4-carboxylate?
The InChIKey is ROYXOEDYIVTQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-5-11(10(13)14-4-2)6-8-12-9-7-11/h3,12H,1,4-9H2,2H3.
What are the key properties of ethyl 4-prop-2-enylpiperidine-4-carboxylate?
ethyl 4-prop-2-enylpiperidine-4-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-prop-2-enylpiperidine-4-carboxylate is sourced from PubChem (CID 22097570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).