1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol

C13H18F2N2OS — CID 65447767

IUPAC1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol
SMILESOC(CSc1cc(F)ccc1F)CN1CCNCC1
InChIInChI=1S/C13H18F2N2OS/c14-10-1-2-12(15)13(7-10)19-9-11(18)8-17-5-3-16-4-6-17/h1-2,7,11,16,18H,3-6,8-9H2
InChIKeyOGYVNWSSHLGCKR-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.32
Rot. Bonds5

About 1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol

1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol (PubChem CID 65447767) has the molecular formula C13H18F2N2OS and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol
PubChem CID65447767
Molecular FormulaC13H18F2N2OS
Molecular Weight288.36 g/mol
Exact Mass288.11
IUPAC Name1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol
SMILESOC(CSc1cc(F)ccc1F)CN1CCNCC1
InChIInChI=1S/C13H18F2N2OS/c14-10-1-2-12(15)13(7-10)19-9-11(18)8-17-5-3-16-4-6-17/h1-2,7,11,16,18H,3-6,8-9H2
InChIKeyOGYVNWSSHLGCKR-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol (CID 65447767) is 1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol is OC(CSc1cc(F)ccc1F)CN1CCNCC1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol?
The InChIKey is OGYVNWSSHLGCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2OS/c14-10-1-2-12(15)13(7-10)19-9-11(18)8-17-5-3-16-4-6-17/h1-2,7,11,16,18H,3-6,8-9H2.
What are the key properties of 1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol?
1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol has a molecular weight of 288.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfanyl-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65447767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).