4-(4-amino-2-fluorophenyl)piperazin-2-one

C10H12FN3O — CID 28972585

IUPAC4-(4-amino-2-fluorophenyl)piperazin-2-one
SMILESNc1ccc(N2CCNC(=O)C2)c(F)c1
InChIInChI=1S/C10H12FN3O/c11-8-5-7(12)1-2-9(8)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6,12H2,(H,13,15)
InChIKeyMRYWNAHALSWFMM-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.34
Rot. Bonds1

About 4-(4-amino-2-fluorophenyl)piperazin-2-one

4-(4-amino-2-fluorophenyl)piperazin-2-one (PubChem CID 28972585) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenyl)piperazin-2-one
PubChem CID28972585
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name4-(4-amino-2-fluorophenyl)piperazin-2-one
SMILESNc1ccc(N2CCNC(=O)C2)c(F)c1
InChIInChI=1S/C10H12FN3O/c11-8-5-7(12)1-2-9(8)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6,12H2,(H,13,15)
InChIKeyMRYWNAHALSWFMM-UHFFFAOYSA-N
XLogP0.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-(4-amino-2-fluorophenyl)piperazin-2-one (CID 28972585) is 4-(4-amino-2-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(4-amino-2-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-(4-amino-2-fluorophenyl)piperazin-2-one is Nc1ccc(N2CCNC(=O)C2)c(F)c1.
What is the InChIKey of 4-(4-amino-2-fluorophenyl)piperazin-2-one?
The InChIKey is MRYWNAHALSWFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-8-5-7(12)1-2-9(8)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6,12H2,(H,13,15).
What are the key properties of 4-(4-amino-2-fluorophenyl)piperazin-2-one?
4-(4-amino-2-fluorophenyl)piperazin-2-one has a molecular weight of 209.22 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 28972585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).