2-(3-fluorophenyl)-2-piperazin-1-ylethanol

C12H17FN2O — CID 54592976

IUPAC2-(3-fluorophenyl)-2-piperazin-1-ylethanol
SMILESOCC(c1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C12H17FN2O/c13-11-3-1-2-10(8-11)12(9-16)15-6-4-14-5-7-15/h1-3,8,12,14,16H,4-7,9H2
InChIKeyOIVILSICNXCPDH-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.76
Rot. Bonds3

About 2-(3-fluorophenyl)-2-piperazin-1-ylethanol

2-(3-fluorophenyl)-2-piperazin-1-ylethanol (PubChem CID 54592976) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-piperazin-1-ylethanol
PubChem CID54592976
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(3-fluorophenyl)-2-piperazin-1-ylethanol
SMILESOCC(c1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C12H17FN2O/c13-11-3-1-2-10(8-11)12(9-16)15-6-4-14-5-7-15/h1-3,8,12,14,16H,4-7,9H2
InChIKeyOIVILSICNXCPDH-UHFFFAOYSA-N
XLogP0.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluorophenyl)-2-piperazin-1-ylethanol 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-(3-fluorophenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 2-(3-fluorophenyl)-2-piperazin-1-ylethanol (CID 54592976) is 2-(3-fluorophenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 2-(3-fluorophenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 2-(3-fluorophenyl)-2-piperazin-1-ylethanol is OCC(c1cccc(F)c1)N1CCNCC1.
What is the InChIKey of 2-(3-fluorophenyl)-2-piperazin-1-ylethanol?
The InChIKey is OIVILSICNXCPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-11-3-1-2-10(8-11)12(9-16)15-6-4-14-5-7-15/h1-3,8,12,14,16H,4-7,9H2.
What are the key properties of 2-(3-fluorophenyl)-2-piperazin-1-ylethanol?
2-(3-fluorophenyl)-2-piperazin-1-ylethanol has a molecular weight of 224.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 54592976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).