1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine

C17H18F2N2 — CID 69396647

IUPAC1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine
SMILESCC1CNCCN1c1cccc(-c2ccccc2F)c1F
InChIInChI=1S/C17H18F2N2/c1-12-11-20-9-10-21(12)16-8-4-6-14(17(16)19)13-5-2-3-7-15(13)18/h2-8,12,20H,9-11H2,1H3
InChIKeyZAIVBRJHPXLECR-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.43
Rot. Bonds2

About 1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine

1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine (PubChem CID 69396647) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine
PubChem CID69396647
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine
SMILESCC1CNCCN1c1cccc(-c2ccccc2F)c1F
InChIInChI=1S/C17H18F2N2/c1-12-11-20-9-10-21(12)16-8-4-6-14(17(16)19)13-5-2-3-7-15(13)18/h2-8,12,20H,9-11H2,1H3
InChIKeyZAIVBRJHPXLECR-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine?
The IUPAC name of 1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine (CID 69396647) is 1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine.
What is the SMILES notation for 1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine?
The canonical SMILES for 1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine is CC1CNCCN1c1cccc(-c2ccccc2F)c1F.
What is the InChIKey of 1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine?
The InChIKey is ZAIVBRJHPXLECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c1-12-11-20-9-10-21(12)16-8-4-6-14(17(16)19)13-5-2-3-7-15(13)18/h2-8,12,20H,9-11H2,1H3.
What are the key properties of 1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine?
1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine has a molecular weight of 288.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine is sourced from PubChem (CID 69396647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).