(4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone

C17H17FN2O2 — CID 10780564

IUPAC(4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C17H17FN2O2/c18-14-6-4-13(5-7-14)17(22)20-10-8-19(9-11-20)15-2-1-3-16(21)12-15/h1-7,12,21H,8-11H2
InChIKeyARGQFFUDWVWWNO-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.49
Rot. Bonds2

About (4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone

(4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 10780564) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID10780564
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name(4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C17H17FN2O2/c18-14-6-4-13(5-7-14)17(22)20-10-8-19(9-11-20)15-2-1-3-16(21)12-15/h1-7,12,21H,8-11H2
InChIKeyARGQFFUDWVWWNO-UHFFFAOYSA-N
XLogP2.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-fluorophenyl)-[4-(3-hydroxyphenyl)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 (4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone (CID 10780564) is (4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is ARGQFFUDWVWWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-14-6-4-13(5-7-14)17(22)20-10-8-19(9-11-20)15-2-1-3-16(21)12-15/h1-7,12,21H,8-11H2.
What are the key properties of (4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 300.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 10780564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).