2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine

C13H17F3N2 — CID 64938560

IUPAC2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine
SMILESCCC1CNC(C)CN1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H17F3N2/c1-3-9-6-17-8(2)7-18(9)10-4-11(14)13(16)12(15)5-10/h4-5,8-9,17H,3,6-7H2,1-2H3
InChIKeyOQPBFMVIOZBWPG-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.68
Rot. Bonds2

About 2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine

2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine (PubChem CID 64938560) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine.

Molecular Properties

Compound Name2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine
PubChem CID64938560
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine
SMILESCCC1CNC(C)CN1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H17F3N2/c1-3-9-6-17-8(2)7-18(9)10-4-11(14)13(16)12(15)5-10/h4-5,8-9,17H,3,6-7H2,1-2H3
InChIKeyOQPBFMVIOZBWPG-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2-ethyl-1-(3,4,5-trifluorophenyl)piperazine
CID 64940572
2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine
CID 64939128
2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine
CID 114263238
1-(5-bromo-2,4-difluorophenyl)-2-ethyl-5-methylpiperazine
CID 102855209
4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 64936346
2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine
CID 64954877
2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64954694
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine
CID 64954262
2-ethyl-1-(1-ethylpyrazol-4-yl)-5-methylpiperazine
CID 64939217
1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine
CID 107579958
1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine
CID 64930823
5-tert-butyl-2-ethyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64941928

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine?
The IUPAC name of 2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine (CID 64938560) is 2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine.
What is the SMILES notation for 2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine?
The canonical SMILES for 2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine is CCC1CNC(C)CN1c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine?
The InChIKey is OQPBFMVIOZBWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-3-9-6-17-8(2)7-18(9)10-4-11(14)13(16)12(15)5-10/h4-5,8-9,17H,3,6-7H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine?
2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine has a molecular weight of 258.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine is sourced from PubChem (CID 64938560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).