1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one

C12H20N2O2 — CID 20700068

IUPAC1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one
SMILESC=COCCN1CCN(C(=O)C(=C)C)CC1
InChIInChI=1S/C12H20N2O2/c1-4-16-10-9-13-5-7-14(8-6-13)12(15)11(2)3/h4H,1-2,5-10H2,3H3
InChIKeyOHMVENMXPZJESP-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.87
Rot. Bonds5

About 1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one

1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one (PubChem CID 20700068) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one
PubChem CID20700068
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one
SMILESC=COCCN1CCN(C(=O)C(=C)C)CC1
InChIInChI=1S/C12H20N2O2/c1-4-16-10-9-13-5-7-14(8-6-13)12(15)11(2)3/h4H,1-2,5-10H2,3H3
InChIKeyOHMVENMXPZJESP-UHFFFAOYSA-N
XLogP0.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one?
The IUPAC name of 1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one (CID 20700068) is 1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one?
The canonical SMILES for 1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one is C=COCCN1CCN(C(=O)C(=C)C)CC1.
What is the InChIKey of 1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one?
The InChIKey is OHMVENMXPZJESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-16-10-9-13-5-7-14(8-6-13)12(15)11(2)3/h4H,1-2,5-10H2,3H3.
What are the key properties of 1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one?
1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one has a molecular weight of 224.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one is sourced from PubChem (CID 20700068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).