methyl 2-piperidin-4-ylidenepropanoate

C9H15NO2 — CID 59964591

IUPACmethyl 2-piperidin-4-ylidenepropanoate
SMILESCOC(=O)C(C)=C1CCNCC1
InChIInChI=1S/C9H15NO2/c1-7(9(11)12-2)8-3-5-10-6-4-8/h10H,3-6H2,1-2H3
InChIKeyLWVMCUUCABREOR-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds1

About methyl 2-piperidin-4-ylidenepropanoate

methyl 2-piperidin-4-ylidenepropanoate (PubChem CID 59964591) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 2-piperidin-4-ylidenepropanoate.

Molecular Properties

Compound Namemethyl 2-piperidin-4-ylidenepropanoate
PubChem CID59964591
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 2-piperidin-4-ylidenepropanoate
SMILESCOC(=O)C(C)=C1CCNCC1
InChIInChI=1S/C9H15NO2/c1-7(9(11)12-2)8-3-5-10-6-4-8/h10H,3-6H2,1-2H3
InChIKeyLWVMCUUCABREOR-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
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 methyl 2-piperidin-4-ylidenepropanoate?
The IUPAC name of methyl 2-piperidin-4-ylidenepropanoate (CID 59964591) is methyl 2-piperidin-4-ylidenepropanoate.
What is the SMILES notation for methyl 2-piperidin-4-ylidenepropanoate?
The canonical SMILES for methyl 2-piperidin-4-ylidenepropanoate is COC(=O)C(C)=C1CCNCC1.
What is the InChIKey of methyl 2-piperidin-4-ylidenepropanoate?
The InChIKey is LWVMCUUCABREOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(9(11)12-2)8-3-5-10-6-4-8/h10H,3-6H2,1-2H3.
What are the key properties of methyl 2-piperidin-4-ylidenepropanoate?
methyl 2-piperidin-4-ylidenepropanoate has a molecular weight of 169.22 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperidin-4-ylidenepropanoate is sourced from PubChem (CID 59964591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).