1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine

C17H19FN2 — CID 54506709

IUPAC1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine
SMILESCc1cc(-c2ccc(F)cc2)ccc1N1CCNCC1
InChIInChI=1S/C17H19FN2/c1-13-12-15(14-2-5-16(18)6-3-14)4-7-17(13)20-10-8-19-9-11-20/h2-7,12,19H,8-11H2,1H3
InChIKeyYGFREGNWUGXIAB-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.21
Rot. Bonds2

About 1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine

1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine (PubChem CID 54506709) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine
PubChem CID54506709
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine
SMILESCc1cc(-c2ccc(F)cc2)ccc1N1CCNCC1
InChIInChI=1S/C17H19FN2/c1-13-12-15(14-2-5-16(18)6-3-14)4-7-17(13)20-10-8-19-9-11-20/h2-7,12,19H,8-11H2,1H3
InChIKeyYGFREGNWUGXIAB-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine?
The IUPAC name of 1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine (CID 54506709) is 1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine?
The canonical SMILES for 1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine is Cc1cc(-c2ccc(F)cc2)ccc1N1CCNCC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine?
The InChIKey is YGFREGNWUGXIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-13-12-15(14-2-5-16(18)6-3-14)4-7-17(13)20-10-8-19-9-11-20/h2-7,12,19H,8-11H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine?
1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine has a molecular weight of 270.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-2-methylphenyl]piperazine is sourced from PubChem (CID 54506709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).