(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine

C17H17F3N2 — CID 59822611

IUPAC(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1cc(F)cc(-c2c(F)cccc2F)c1
InChIInChI=1S/C17H17F3N2/c1-11-10-21-5-6-22(11)14-8-12(7-13(18)9-14)17-15(19)3-2-4-16(17)20/h2-4,7-9,11,21H,5-6,10H2,1H3/t11-/m1/s1
InChIKeySOAZRNJAVMYONM-LLVKDONJSA-N
MW306.33 g/mol
LogP3.57
Rot. Bonds2

About (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine

(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine (PubChem CID 59822611) has the molecular formula C17H17F3N2 and a molecular weight of 306.33 g/mol. Its IUPAC name is (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine
PubChem CID59822611
Molecular FormulaC17H17F3N2
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1cc(F)cc(-c2c(F)cccc2F)c1
InChIInChI=1S/C17H17F3N2/c1-11-10-21-5-6-22(11)14-8-12(7-13(18)9-14)17-15(19)3-2-4-16(17)20/h2-4,7-9,11,21H,5-6,10H2,1H3/t11-/m1/s1
InChIKeySOAZRNJAVMYONM-LLVKDONJSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
CID 59822612
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
(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine
CID 121448830
1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
CID 11500220
N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide
CID 166166341
(2S)-1-(2-chloro-3-fluorophenyl)-2-methylpiperazine
CID 11514137
(2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine
CID 11543595
2-methyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64930528
(2S)-1-(4-fluoro-3-methoxyphenyl)-2-methylpiperazine
CID 96908124
(2R)-2-methyl-1-[3-(2-methylpropyl)phenyl]piperazine
CID 166036202

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine (CID 59822611) is (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine is C[C@@H]1CNCCN1c1cc(F)cc(-c2c(F)cccc2F)c1.
What is the InChIKey of (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine?
The InChIKey is SOAZRNJAVMYONM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17F3N2/c1-11-10-21-5-6-22(11)14-8-12(7-13(18)9-14)17-15(19)3-2-4-16(17)20/h2-4,7-9,11,21H,5-6,10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine?
(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine has a molecular weight of 306.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine is sourced from PubChem (CID 59822611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).