1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol

C13H19FN2OS — CID 65448513

IUPAC1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol
SMILESOC(CSc1ccc(F)cc1)CN1CCNCC1
InChIInChI=1S/C13H19FN2OS/c14-11-1-3-13(4-2-11)18-10-12(17)9-16-7-5-15-6-8-16/h1-4,12,15,17H,5-10H2
InChIKeyQRDOXUNLGRKMFC-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.18
Rot. Bonds5

About 1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol

1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol (PubChem CID 65448513) has the molecular formula C13H19FN2OS and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol
PubChem CID65448513
Molecular FormulaC13H19FN2OS
Molecular Weight270.37 g/mol
Exact Mass270.12
IUPAC Name1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol
SMILESOC(CSc1ccc(F)cc1)CN1CCNCC1
InChIInChI=1S/C13H19FN2OS/c14-11-1-3-13(4-2-11)18-10-12(17)9-16-7-5-15-6-8-16/h1-4,12,15,17H,5-10H2
InChIKeyQRDOXUNLGRKMFC-UHFFFAOYSA-N
XLogP1.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol (CID 65448513) is 1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol is OC(CSc1ccc(F)cc1)CN1CCNCC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol?
The InChIKey is QRDOXUNLGRKMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2OS/c14-11-1-3-13(4-2-11)18-10-12(17)9-16-7-5-15-6-8-16/h1-4,12,15,17H,5-10H2.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol?
1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol has a molecular weight of 270.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65448513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).