ethyl 2-piperidin-4-ylidenepropanoate

C10H17NO2 — CID 59464310

IUPACethyl 2-piperidin-4-ylidenepropanoate
SMILESCCOC(=O)C(C)=C1CCNCC1
InChIInChI=1S/C10H17NO2/c1-3-13-10(12)8(2)9-4-6-11-7-5-9/h11H,3-7H2,1-2H3
InChIKeyRIHBYMPDFGVHMB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.25
Rot. Bonds2

About ethyl 2-piperidin-4-ylidenepropanoate

ethyl 2-piperidin-4-ylidenepropanoate (PubChem CID 59464310) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 2-piperidin-4-ylidenepropanoate.

Molecular Properties

Compound Nameethyl 2-piperidin-4-ylidenepropanoate
PubChem CID59464310
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 2-piperidin-4-ylidenepropanoate
SMILESCCOC(=O)C(C)=C1CCNCC1
InChIInChI=1S/C10H17NO2/c1-3-13-10(12)8(2)9-4-6-11-7-5-9/h11H,3-7H2,1-2H3
InChIKeyRIHBYMPDFGVHMB-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperidin-4-ylidenepropanoate?
The IUPAC name of ethyl 2-piperidin-4-ylidenepropanoate (CID 59464310) is ethyl 2-piperidin-4-ylidenepropanoate.
What is the SMILES notation for ethyl 2-piperidin-4-ylidenepropanoate?
The canonical SMILES for ethyl 2-piperidin-4-ylidenepropanoate is CCOC(=O)C(C)=C1CCNCC1.
What is the InChIKey of ethyl 2-piperidin-4-ylidenepropanoate?
The InChIKey is RIHBYMPDFGVHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-13-10(12)8(2)9-4-6-11-7-5-9/h11H,3-7H2,1-2H3.
What are the key properties of ethyl 2-piperidin-4-ylidenepropanoate?
ethyl 2-piperidin-4-ylidenepropanoate has a molecular weight of 183.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-4-ylidenepropanoate is sourced from PubChem (CID 59464310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).