1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine

C21H25FN2O — CID 10688524

IUPAC1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN2O/c1-25-21-8-3-2-7-20(21)24-16-14-23(15-17-24)13-5-4-6-18-9-11-19(22)12-10-18/h2-4,6-12H,5,13-17H2,1H3/b6-4+
InChIKeyRZIVFBRAKJMQQL-GQCTYLIASA-N
MW340.44 g/mol
LogP4.06
Rot. Bonds6

About 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine

1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 10688524) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine
PubChem CID10688524
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN2O/c1-25-21-8-3-2-7-20(21)24-16-14-23(15-17-24)13-5-4-6-18-9-11-19(22)12-10-18/h2-4,6-12H,5,13-17H2,1H3/b6-4+
InChIKeyRZIVFBRAKJMQQL-GQCTYLIASA-N
XLogP4.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine (CID 10688524) is 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CC/C=C/c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is RZIVFBRAKJMQQL-GQCTYLIASA-N. The full InChI is InChI=1S/C21H25FN2O/c1-25-21-8-3-2-7-20(21)24-16-14-23(15-17-24)13-5-4-6-18-9-11-19(22)12-10-18/h2-4,6-12H,5,13-17H2,1H3/b6-4+.
What are the key properties of 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine?
1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 340.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 10688524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).