(2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine

C17H18F2N2 — CID 59822612

IUPAC(2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1cc(F)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H18F2N2/c1-12-11-20-6-7-21(12)17-9-14(8-16(19)10-17)13-2-4-15(18)5-3-13/h2-5,8-10,12,20H,6-7,11H2,1H3/t12-/m1/s1
InChIKeyNEJFXIHBUAMRMK-GFCCVEGCSA-N
MW288.34 g/mol
LogP3.43
Rot. Bonds2

About (2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine

(2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine (PubChem CID 59822612) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is (2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
PubChem CID59822612
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name(2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1cc(F)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H18F2N2/c1-12-11-20-6-7-21(12)17-9-14(8-16(19)10-17)13-2-4-15(18)5-3-13/h2-5,8-10,12,20H,6-7,11H2,1H3/t12-/m1/s1
InChIKeyNEJFXIHBUAMRMK-GFCCVEGCSA-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-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine
CID 59822611
1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine
CID 11507185
(2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine
CID 69230449
(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine
CID 121448630
1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
CID 11500220
(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine
CID 121448830
1-[3,5-bis(trifluoromethyl)phenyl]-2-methylpiperazine
CID 72985887
(2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine
CID 11543595
2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 141105926
2-methyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64930528
(2S)-1-(4-fluoro-3-methoxyphenyl)-2-methylpiperazine
CID 96908124
2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline
CID 150243687

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine (CID 59822612) is (2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine is C[C@@H]1CNCCN1c1cc(F)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of (2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine?
The InChIKey is NEJFXIHBUAMRMK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18F2N2/c1-12-11-20-6-7-21(12)17-9-14(8-16(19)10-17)13-2-4-15(18)5-3-13/h2-5,8-10,12,20H,6-7,11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine?
(2R)-1-[3-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 (2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine is sourced from PubChem (CID 59822612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).