1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine

C16H16ClFN2 — CID 64924315

IUPAC1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine
SMILESFc1ccc(Cl)cc1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H16ClFN2/c17-13-6-7-14(18)16(10-13)20-9-8-19-15(11-20)12-4-2-1-3-5-12/h1-7,10,15,19H,8-9,11H2
InChIKeyGGPWBYZFBYBUNA-UHFFFAOYSA-N
MW290.77 g/mol
LogP3.63
Rot. Bonds2

About 1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine

1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine (PubChem CID 64924315) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine
PubChem CID64924315
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine
SMILESFc1ccc(Cl)cc1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H16ClFN2/c17-13-6-7-14(18)16(10-13)20-9-8-19-15(11-20)12-4-2-1-3-5-12/h1-7,10,15,19H,8-9,11H2
InChIKeyGGPWBYZFBYBUNA-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine (CID 64924315) is 1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine is Fc1ccc(Cl)cc1N1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine?
The InChIKey is GGPWBYZFBYBUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2/c17-13-6-7-14(18)16(10-13)20-9-8-19-15(11-20)12-4-2-1-3-5-12/h1-7,10,15,19H,8-9,11H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine?
1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine has a molecular weight of 290.77 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine is sourced from PubChem (CID 64924315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).