1-[4-(trifluoromethylsulfonyl)phenyl]piperazine

C11H13F3N2O2S — CID 43455229

IUPAC1-[4-(trifluoromethylsulfonyl)phenyl]piperazine
SMILESO=S(=O)(c1ccc(N2CCNCC2)cc1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)19(17,18)10-3-1-9(2-4-10)16-7-5-15-6-8-16/h1-4,15H,5-8H2
InChIKeyANLJCXQUPUPXST-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.39
Rot. Bonds2

About 1-[4-(trifluoromethylsulfonyl)phenyl]piperazine

1-[4-(trifluoromethylsulfonyl)phenyl]piperazine (PubChem CID 43455229) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-[4-(trifluoromethylsulfonyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(trifluoromethylsulfonyl)phenyl]piperazine
PubChem CID43455229
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name1-[4-(trifluoromethylsulfonyl)phenyl]piperazine
SMILESO=S(=O)(c1ccc(N2CCNCC2)cc1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)19(17,18)10-3-1-9(2-4-10)16-7-5-15-6-8-16/h1-4,15H,5-8H2
InChIKeyANLJCXQUPUPXST-UHFFFAOYSA-N
XLogP1.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethylsulfonyl)phenyl]piperazine?
The IUPAC name of 1-[4-(trifluoromethylsulfonyl)phenyl]piperazine (CID 43455229) is 1-[4-(trifluoromethylsulfonyl)phenyl]piperazine.
What is the SMILES notation for 1-[4-(trifluoromethylsulfonyl)phenyl]piperazine?
The canonical SMILES for 1-[4-(trifluoromethylsulfonyl)phenyl]piperazine is O=S(=O)(c1ccc(N2CCNCC2)cc1)C(F)(F)F.
What is the InChIKey of 1-[4-(trifluoromethylsulfonyl)phenyl]piperazine?
The InChIKey is ANLJCXQUPUPXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c12-11(13,14)19(17,18)10-3-1-9(2-4-10)16-7-5-15-6-8-16/h1-4,15H,5-8H2.
What are the key properties of 1-[4-(trifluoromethylsulfonyl)phenyl]piperazine?
1-[4-(trifluoromethylsulfonyl)phenyl]piperazine has a molecular weight of 294.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethylsulfonyl)phenyl]piperazine is sourced from PubChem (CID 43455229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).