1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine

C14H28N4 — CID 18547116

IUPAC1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine
SMILESC/C=C(/CN1CCNCC1)C(C)N1CCNCC1
InChIInChI=1S/C14H28N4/c1-3-14(12-17-8-4-15-5-9-17)13(2)18-10-6-16-7-11-18/h3,13,15-16H,4-12H2,1-2H3/b14-3-
InChIKeyVXMZJEMYQROIQF-BNNQUZSASA-N
MW252.41 g/mol
LogP0.13
Rot. Bonds4

About 1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine

1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine (PubChem CID 18547116) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine
PubChem CID18547116
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine
SMILESC/C=C(/CN1CCNCC1)C(C)N1CCNCC1
InChIInChI=1S/C14H28N4/c1-3-14(12-17-8-4-15-5-9-17)13(2)18-10-6-16-7-11-18/h3,13,15-16H,4-12H2,1-2H3/b14-3-
InChIKeyVXMZJEMYQROIQF-BNNQUZSASA-N
XLogP0.13
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 50.13
H-Bond Donors ≤ 52
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 1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine?
The IUPAC name of 1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine (CID 18547116) is 1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine.
What is the SMILES notation for 1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine?
The canonical SMILES for 1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine is C/C=C(/CN1CCNCC1)C(C)N1CCNCC1.
What is the InChIKey of 1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine?
The InChIKey is VXMZJEMYQROIQF-BNNQUZSASA-N. The full InChI is InChI=1S/C14H28N4/c1-3-14(12-17-8-4-15-5-9-17)13(2)18-10-6-16-7-11-18/h3,13,15-16H,4-12H2,1-2H3/b14-3-.
What are the key properties of 1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine?
1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine has a molecular weight of 252.41 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine is sourced from PubChem (CID 18547116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).