4-(4-piperazin-1-ylbut-2-enyl)morpholine

C12H23N3O — CID 57292661

IUPAC4-(4-piperazin-1-ylbut-2-enyl)morpholine
SMILESC(=CCN1CCOCC1)CN1CCNCC1
InChIInChI=1S/C12H23N3O/c1(5-14-7-3-13-4-8-14)2-6-15-9-11-16-12-10-15/h1-2,13H,3-12H2
InChIKeyWSGSRSIUNKHBAK-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.22
Rot. Bonds4

About 4-(4-piperazin-1-ylbut-2-enyl)morpholine

4-(4-piperazin-1-ylbut-2-enyl)morpholine (PubChem CID 57292661) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(4-piperazin-1-ylbut-2-enyl)morpholine.

Molecular Properties

Compound Name4-(4-piperazin-1-ylbut-2-enyl)morpholine
PubChem CID57292661
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-(4-piperazin-1-ylbut-2-enyl)morpholine
SMILESC(=CCN1CCOCC1)CN1CCNCC1
InChIInChI=1S/C12H23N3O/c1(5-14-7-3-13-4-8-14)2-6-15-9-11-16-12-10-15/h1-2,13H,3-12H2
InChIKeyWSGSRSIUNKHBAK-UHFFFAOYSA-N
XLogP-0.22
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
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-(4-piperazin-1-ylbut-2-enyl)morpholine?
The IUPAC name of 4-(4-piperazin-1-ylbut-2-enyl)morpholine (CID 57292661) is 4-(4-piperazin-1-ylbut-2-enyl)morpholine.
What is the SMILES notation for 4-(4-piperazin-1-ylbut-2-enyl)morpholine?
The canonical SMILES for 4-(4-piperazin-1-ylbut-2-enyl)morpholine is C(=CCN1CCOCC1)CN1CCNCC1.
What is the InChIKey of 4-(4-piperazin-1-ylbut-2-enyl)morpholine?
The InChIKey is WSGSRSIUNKHBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1(5-14-7-3-13-4-8-14)2-6-15-9-11-16-12-10-15/h1-2,13H,3-12H2.
What are the key properties of 4-(4-piperazin-1-ylbut-2-enyl)morpholine?
4-(4-piperazin-1-ylbut-2-enyl)morpholine has a molecular weight of 225.34 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperazin-1-ylbut-2-enyl)morpholine is sourced from PubChem (CID 57292661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).