4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine

C13H25N3O — CID 165394339

IUPAC4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine
SMILESC=CCN1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C13H25N3O/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17-13-11-16/h2H,1,3-13H2
InChIKeyXIYGKCASXDUSPJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.12
Rot. Bonds5

About 4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine

4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine (PubChem CID 165394339) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine
PubChem CID165394339
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine
SMILESC=CCN1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C13H25N3O/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17-13-11-16/h2H,1,3-13H2
InChIKeyXIYGKCASXDUSPJ-UHFFFAOYSA-N
XLogP0.12
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine (CID 165394339) is 4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine is C=CCN1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine?
The InChIKey is XIYGKCASXDUSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17-13-11-16/h2H,1,3-13H2.
What are the key properties of 4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine?
4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine has a molecular weight of 239.36 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]morpholine is sourced from PubChem (CID 165394339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).