1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine

C17H18F2N2 — CID 11500220

IUPAC1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
SMILESCC1CNCCN1c1cc(-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C17H18F2N2/c1-12-11-20-8-9-21(12)17-10-14(4-7-16(17)19)13-2-5-15(18)6-3-13/h2-7,10,12,20H,8-9,11H2,1H3
InChIKeyYATWPSRQRALPNG-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.43
Rot. Bonds2

About 1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine

1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine (PubChem CID 11500220) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
PubChem CID11500220
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
SMILESCC1CNCCN1c1cc(-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C17H18F2N2/c1-12-11-20-8-9-21(12)17-10-14(4-7-16(17)19)13-2-5-15(18)6-3-13/h2-7,10,12,20H,8-9,11H2,1H3
InChIKeyYATWPSRQRALPNG-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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Related Compounds

(2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine
CID 11543595
(2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
CID 59822612
2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline
CID 150243687
1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine
CID 103587648
2-methyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64930528
(2S)-1-(2,5-dichlorophenyl)-2-methylpiperazine
CID 11492480
(2S)-1-(4-fluoro-3-methoxyphenyl)-2-methylpiperazine
CID 96908124
(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine
CID 59822611
(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine
CID 121448830
(2S)-1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpiperazine
CID 138530358
(2S)-1-(2-chloro-3-fluorophenyl)-2-methylpiperazine
CID 11514137
1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine
CID 107594272

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine?
The IUPAC name of 1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine (CID 11500220) is 1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine.
What is the SMILES notation for 1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine?
The canonical SMILES for 1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine is CC1CNCCN1c1cc(-c2ccc(F)cc2)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine?
The InChIKey is YATWPSRQRALPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c1-12-11-20-8-9-21(12)17-10-14(4-7-16(17)19)13-2-5-15(18)6-3-13/h2-7,10,12,20H,8-9,11H2,1H3.
What are the key properties of 1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine?
1-[2-fluoro-5-(4-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-5-(4-fluorophenyl)phenyl]-2-methylpiperazine is sourced from PubChem (CID 11500220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).