4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine

C13H25N3O — CID 18547063

IUPAC4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine
SMILESC/C=C(/CN1CCNCC1)CN1CCOCC1
InChIInChI=1S/C13H25N3O/c1-2-13(11-15-5-3-14-4-6-15)12-16-7-9-17-10-8-16/h2,14H,3-12H2,1H3/b13-2-
InChIKeyOTWCSJRNWKMPGR-SILLCRNTSA-N
MW239.36 g/mol
LogP0.17
Rot. Bonds4

About 4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine

4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine (PubChem CID 18547063) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine
PubChem CID18547063
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine
SMILESC/C=C(/CN1CCNCC1)CN1CCOCC1
InChIInChI=1S/C13H25N3O/c1-2-13(11-15-5-3-14-4-6-15)12-16-7-9-17-10-8-16/h2,14H,3-12H2,1H3/b13-2-
InChIKeyOTWCSJRNWKMPGR-SILLCRNTSA-N
XLogP0.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine?
The IUPAC name of 4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine (CID 18547063) is 4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine.
What is the SMILES notation for 4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine?
The canonical SMILES for 4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine is C/C=C(/CN1CCNCC1)CN1CCOCC1.
What is the InChIKey of 4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine?
The InChIKey is OTWCSJRNWKMPGR-SILLCRNTSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-13(11-15-5-3-14-4-6-15)12-16-7-9-17-10-8-16/h2,14H,3-12H2,1H3/b13-2-.
What are the key properties of 4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine?
4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine has a molecular weight of 239.36 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine is sourced from PubChem (CID 18547063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).