1-(4-fluorobut-2-enyl)piperazine

C8H15FN2 — CID 139714684

IUPAC1-(4-fluorobut-2-enyl)piperazine
SMILESFCC=CCN1CCNCC1
InChIInChI=1S/C8H15FN2/c9-3-1-2-6-11-7-4-10-5-8-11/h1-2,10H,3-8H2
InChIKeyJAFCZDLHYLBMDB-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.42
Rot. Bonds3

About 1-(4-fluorobut-2-enyl)piperazine

1-(4-fluorobut-2-enyl)piperazine (PubChem CID 139714684) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-(4-fluorobut-2-enyl)piperazine.

Molecular Properties

Compound Name1-(4-fluorobut-2-enyl)piperazine
PubChem CID139714684
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name1-(4-fluorobut-2-enyl)piperazine
SMILESFCC=CCN1CCNCC1
InChIInChI=1S/C8H15FN2/c9-3-1-2-6-11-7-4-10-5-8-11/h1-2,10H,3-8H2
InChIKeyJAFCZDLHYLBMDB-UHFFFAOYSA-N
XLogP0.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-fluorobut-2-enyl)piperazine?
The IUPAC name of 1-(4-fluorobut-2-enyl)piperazine (CID 139714684) is 1-(4-fluorobut-2-enyl)piperazine.
What is the SMILES notation for 1-(4-fluorobut-2-enyl)piperazine?
The canonical SMILES for 1-(4-fluorobut-2-enyl)piperazine is FCC=CCN1CCNCC1.
What is the InChIKey of 1-(4-fluorobut-2-enyl)piperazine?
The InChIKey is JAFCZDLHYLBMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c9-3-1-2-6-11-7-4-10-5-8-11/h1-2,10H,3-8H2.
What are the key properties of 1-(4-fluorobut-2-enyl)piperazine?
1-(4-fluorobut-2-enyl)piperazine has a molecular weight of 158.22 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobut-2-enyl)piperazine is sourced from PubChem (CID 139714684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).