(3-amino-5-fluorophenyl)-piperazin-1-ylmethanone

C11H14FN3O — CID 82509521

IUPAC(3-amino-5-fluorophenyl)-piperazin-1-ylmethanone
SMILESNc1cc(F)cc(C(=O)N2CCNCC2)c1
InChIInChI=1S/C11H14FN3O/c12-9-5-8(6-10(13)7-9)11(16)15-3-1-14-2-4-15/h5-7,14H,1-4,13H2
InChIKeyGWYZBTXYZCVBHA-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.45
Rot. Bonds1

About (3-amino-5-fluorophenyl)-piperazin-1-ylmethanone

(3-amino-5-fluorophenyl)-piperazin-1-ylmethanone (PubChem CID 82509521) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is (3-amino-5-fluorophenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-5-fluorophenyl)-piperazin-1-ylmethanone
PubChem CID82509521
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name(3-amino-5-fluorophenyl)-piperazin-1-ylmethanone
SMILESNc1cc(F)cc(C(=O)N2CCNCC2)c1
InChIInChI=1S/C11H14FN3O/c12-9-5-8(6-10(13)7-9)11(16)15-3-1-14-2-4-15/h5-7,14H,1-4,13H2
InChIKeyGWYZBTXYZCVBHA-UHFFFAOYSA-N
XLogP0.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluorophenyl)-piperazin-1-ylmethanone?
The IUPAC name of (3-amino-5-fluorophenyl)-piperazin-1-ylmethanone (CID 82509521) is (3-amino-5-fluorophenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-amino-5-fluorophenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-amino-5-fluorophenyl)-piperazin-1-ylmethanone is Nc1cc(F)cc(C(=O)N2CCNCC2)c1.
What is the InChIKey of (3-amino-5-fluorophenyl)-piperazin-1-ylmethanone?
The InChIKey is GWYZBTXYZCVBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-9-5-8(6-10(13)7-9)11(16)15-3-1-14-2-4-15/h5-7,14H,1-4,13H2.
What are the key properties of (3-amino-5-fluorophenyl)-piperazin-1-ylmethanone?
(3-amino-5-fluorophenyl)-piperazin-1-ylmethanone has a molecular weight of 223.25 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-fluorophenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82509521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).