1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine

C15H22F2N2O2S — CID 71861438

IUPAC1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C15H22F2N2O2S/c1-2-10-22(20,21)11-9-18-5-7-19(8-6-18)15-12-13(16)3-4-14(15)17/h3-4,12H,2,5-11H2,1H3
InChIKeyUBAFCVGFEHZKIQ-UHFFFAOYSA-N
MW332.42 g/mol
LogP1.91
Rot. Bonds6

About 1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine

1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine (PubChem CID 71861438) has the molecular formula C15H22F2N2O2S and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine
PubChem CID71861438
Molecular FormulaC15H22F2N2O2S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Name1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C15H22F2N2O2S/c1-2-10-22(20,21)11-9-18-5-7-19(8-6-18)15-12-13(16)3-4-14(15)17/h3-4,12H,2,5-11H2,1H3
InChIKeyUBAFCVGFEHZKIQ-UHFFFAOYSA-N
XLogP1.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine?
The IUPAC name of 1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine (CID 71861438) is 1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine?
The canonical SMILES for 1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine is CCCS(=O)(=O)CCN1CCN(c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine?
The InChIKey is UBAFCVGFEHZKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2S/c1-2-10-22(20,21)11-9-18-5-7-19(8-6-18)15-12-13(16)3-4-14(15)17/h3-4,12H,2,5-11H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine?
1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine has a molecular weight of 332.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-4-(2-propylsulfonylethyl)piperazine is sourced from PubChem (CID 71861438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).