2-methyl-1-(2,3,5-trifluorophenyl)piperazine

C11H13F3N2 — CID 64930528

IUPAC2-methyl-1-(2,3,5-trifluorophenyl)piperazine
SMILESCC1CNCCN1c1cc(F)cc(F)c1F
InChIInChI=1S/C11H13F3N2/c1-7-6-15-2-3-16(7)10-5-8(12)4-9(13)11(10)14/h4-5,7,15H,2-3,6H2,1H3
InChIKeyCSKDAOADMBXQFX-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.90
Rot. Bonds1

About 2-methyl-1-(2,3,5-trifluorophenyl)piperazine

2-methyl-1-(2,3,5-trifluorophenyl)piperazine (PubChem CID 64930528) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-methyl-1-(2,3,5-trifluorophenyl)piperazine.

Molecular Properties

Compound Name2-methyl-1-(2,3,5-trifluorophenyl)piperazine
PubChem CID64930528
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name2-methyl-1-(2,3,5-trifluorophenyl)piperazine
SMILESCC1CNCCN1c1cc(F)cc(F)c1F
InChIInChI=1S/C11H13F3N2/c1-7-6-15-2-3-16(7)10-5-8(12)4-9(13)11(10)14/h4-5,7,15H,2-3,6H2,1H3
InChIKeyCSKDAOADMBXQFX-UHFFFAOYSA-N
XLogP1.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine
CID 107594272
1-(5-fluoro-1-benzofuran-7-yl)-2-methylpiperazine
CID 22277293
1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine
CID 103587648
1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
CID 11500220
(2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine
CID 69099483
(2S)-1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpiperazine
CID 138530358
(2S)-1-(2-chloro-3-fluorophenyl)-2-methylpiperazine
CID 11514137
(2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine
CID 11543595
1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine
CID 69396647
(2S)-1-(2,5-dichlorophenyl)-2-methylpiperazine
CID 11492480
(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine
CID 59822611
(2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
CID 59822612

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,5-trifluorophenyl)piperazine?
The IUPAC name of 2-methyl-1-(2,3,5-trifluorophenyl)piperazine (CID 64930528) is 2-methyl-1-(2,3,5-trifluorophenyl)piperazine.
What is the SMILES notation for 2-methyl-1-(2,3,5-trifluorophenyl)piperazine?
The canonical SMILES for 2-methyl-1-(2,3,5-trifluorophenyl)piperazine is CC1CNCCN1c1cc(F)cc(F)c1F.
What is the InChIKey of 2-methyl-1-(2,3,5-trifluorophenyl)piperazine?
The InChIKey is CSKDAOADMBXQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-7-6-15-2-3-16(7)10-5-8(12)4-9(13)11(10)14/h4-5,7,15H,2-3,6H2,1H3.
What are the key properties of 2-methyl-1-(2,3,5-trifluorophenyl)piperazine?
2-methyl-1-(2,3,5-trifluorophenyl)piperazine has a molecular weight of 230.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,5-trifluorophenyl)piperazine is sourced from PubChem (CID 64930528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).