2-(piperazin-1-ylmethoxy)ethenone

C7H12N2O2 — CID 141000303

IUPAC2-(piperazin-1-ylmethoxy)ethenone
SMILESO=C=COCN1CCNCC1
InChIInChI=1S/C7H12N2O2/c10-5-6-11-7-9-3-1-8-2-4-9/h6,8H,1-4,7H2
InChIKeyAZZHTBFLULZPTP-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.79
Rot. Bonds3

About 2-(piperazin-1-ylmethoxy)ethenone

2-(piperazin-1-ylmethoxy)ethenone (PubChem CID 141000303) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethoxy)ethenone.

Molecular Properties

Compound Name2-(piperazin-1-ylmethoxy)ethenone
PubChem CID141000303
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-(piperazin-1-ylmethoxy)ethenone
SMILESO=C=COCN1CCNCC1
InChIInChI=1S/C7H12N2O2/c10-5-6-11-7-9-3-1-8-2-4-9/h6,8H,1-4,7H2
InChIKeyAZZHTBFLULZPTP-UHFFFAOYSA-N
XLogP-0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethoxy)ethenone?
The IUPAC name of 2-(piperazin-1-ylmethoxy)ethenone (CID 141000303) is 2-(piperazin-1-ylmethoxy)ethenone.
What is the SMILES notation for 2-(piperazin-1-ylmethoxy)ethenone?
The canonical SMILES for 2-(piperazin-1-ylmethoxy)ethenone is O=C=COCN1CCNCC1.
What is the InChIKey of 2-(piperazin-1-ylmethoxy)ethenone?
The InChIKey is AZZHTBFLULZPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-5-6-11-7-9-3-1-8-2-4-9/h6,8H,1-4,7H2.
What are the key properties of 2-(piperazin-1-ylmethoxy)ethenone?
2-(piperazin-1-ylmethoxy)ethenone has a molecular weight of 156.19 g/mol, XLogP of -0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethoxy)ethenone is sourced from PubChem (CID 141000303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).