1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine

C26H26F2N2 — CID 3378

IUPAC1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
SMILESFc1ccc(C(c2ccc(F)cc2)N2CCN(CC=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2
InChIKeySMANXXCATUTDDT-UHFFFAOYSA-N
MW404.50 g/mol
LogP5.39
Rot. Bonds6

About 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine

1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine (PubChem CID 3378) has the molecular formula C26H26F2N2 and a molecular weight of 404.50 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
PubChem CID3378
Molecular FormulaC26H26F2N2
Molecular Weight404.50 g/mol
Exact Mass404.21
IUPAC Name1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
SMILESFc1ccc(C(c2ccc(F)cc2)N2CCN(CC=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2
InChIKeySMANXXCATUTDDT-UHFFFAOYSA-N
XLogP5.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.50
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine (CID 3378) is 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine is Fc1ccc(C(c2ccc(F)cc2)N2CCN(CC=Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine?
The InChIKey is SMANXXCATUTDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2.
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine?
1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine has a molecular weight of 404.50 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 3378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).