(2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone

C17H18F2N2O2S — CID 71782980

IUPAC(2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C17H18F2N2O2S/c18-12-3-1-4-13(19)16(12)17(23)21-8-6-20(7-9-21)11-14(22)15-5-2-10-24-15/h1-5,10,14,22H,6-9,11H2
InChIKeyQCIAKBBIYQSKLQ-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.52
Rot. Bonds4

About (2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone

(2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone (PubChem CID 71782980) has the molecular formula C17H18F2N2O2S and a molecular weight of 352.41 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone
PubChem CID71782980
Molecular FormulaC17H18F2N2O2S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name(2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C17H18F2N2O2S/c18-12-3-1-4-13(19)16(12)17(23)21-8-6-20(7-9-21)11-14(22)15-5-2-10-24-15/h1-5,10,14,22H,6-9,11H2
InChIKeyQCIAKBBIYQSKLQ-UHFFFAOYSA-N
XLogP2.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone (CID 71782980) is (2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone is O=C(c1c(F)cccc1F)N1CCN(CC(O)c2cccs2)CC1.
What is the InChIKey of (2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The InChIKey is QCIAKBBIYQSKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S/c18-12-3-1-4-13(19)16(12)17(23)21-8-6-20(7-9-21)11-14(22)15-5-2-10-24-15/h1-5,10,14,22H,6-9,11H2.
What are the key properties of (2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
(2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone has a molecular weight of 352.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71782980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).