1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine

C14H19FN2 — CID 82290756

IUPAC1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine
SMILESFc1ccc(/C=C/CCN2CCNCC2)cc1
InChIInChI=1S/C14H19FN2/c15-14-6-4-13(5-7-14)3-1-2-10-17-11-8-16-9-12-17/h1,3-7,16H,2,8-12H2/b3-1+
InChIKeyBNDKOMZBGHOWJT-HNQUOIGGSA-N
MW234.32 g/mol
LogP2.13
Rot. Bonds4

About 1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine

1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine (PubChem CID 82290756) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine
PubChem CID82290756
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine
SMILESFc1ccc(/C=C/CCN2CCNCC2)cc1
InChIInChI=1S/C14H19FN2/c15-14-6-4-13(5-7-14)3-1-2-10-17-11-8-16-9-12-17/h1,3-7,16H,2,8-12H2/b3-1+
InChIKeyBNDKOMZBGHOWJT-HNQUOIGGSA-N
XLogP2.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine?
The IUPAC name of 1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine (CID 82290756) is 1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine.
What is the SMILES notation for 1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine?
The canonical SMILES for 1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine is Fc1ccc(/C=C/CCN2CCNCC2)cc1.
What is the InChIKey of 1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine?
The InChIKey is BNDKOMZBGHOWJT-HNQUOIGGSA-N. The full InChI is InChI=1S/C14H19FN2/c15-14-6-4-13(5-7-14)3-1-2-10-17-11-8-16-9-12-17/h1,3-7,16H,2,8-12H2/b3-1+.
What are the key properties of 1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine?
1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine has a molecular weight of 234.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperazine is sourced from PubChem (CID 82290756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).