2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine

C13H17F3N2O2S — CID 63600609

IUPAC2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine
SMILESCCC1CNCCN1c1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c1-2-10-9-17-7-8-18(10)11-5-3-4-6-12(11)21(19,20)13(14,15)16/h3-6,10,17H,2,7-9H2,1H3
InChIKeySYKUNTCAZOENRT-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.17
Rot. Bonds3

About 2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine

2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine (PubChem CID 63600609) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine.

Molecular Properties

Compound Name2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine
PubChem CID63600609
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine
SMILESCCC1CNCCN1c1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c1-2-10-9-17-7-8-18(10)11-5-3-4-6-12(11)21(19,20)13(14,15)16/h3-6,10,17H,2,7-9H2,1H3
InChIKeySYKUNTCAZOENRT-UHFFFAOYSA-N
XLogP2.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-(2-methyl-3-pyridinyl)piperazine
CID 79044286
2-(bromomethyl)-3-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidine
CID 102786172
2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol
CID 70659457
1-(3-chloro-2-methylphenyl)-2-ethylpiperazine
CID 64936902
1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine
CID 55104398
1-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethylpiperazine
CID 64939190
2-ethyl-1-pyridin-2-ylpiperazine
CID 63600435
2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine
CID 64938636
[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
CID 56796829
2-ethyl-1-(4-iodophenyl)piperazine
CID 64931488
2-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]piperazine
CID 64933076
2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole
CID 63553534

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine?
The IUPAC name of 2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine (CID 63600609) is 2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine.
What is the SMILES notation for 2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine?
The canonical SMILES for 2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine is CCC1CNCCN1c1ccccc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine?
The InChIKey is SYKUNTCAZOENRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-2-10-9-17-7-8-18(10)11-5-3-4-6-12(11)21(19,20)13(14,15)16/h3-6,10,17H,2,7-9H2,1H3.
What are the key properties of 2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine?
2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine has a molecular weight of 322.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperazine is sourced from PubChem (CID 63600609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).