4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one

C11H14FN3O — CID 102813310

IUPAC4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one
SMILESNCc1cc(F)cc(N2CCNC(=O)C2)c1
InChIInChI=1S/C11H14FN3O/c12-9-3-8(6-13)4-10(5-9)15-2-1-14-11(16)7-15/h3-5H,1-2,6-7,13H2,(H,14,16)
InChIKeyWFPBRAJYIOBEPY-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.22
Rot. Bonds2

About 4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one

4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one (PubChem CID 102813310) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one
PubChem CID102813310
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one
SMILESNCc1cc(F)cc(N2CCNC(=O)C2)c1
InChIInChI=1S/C11H14FN3O/c12-9-3-8(6-13)4-10(5-9)15-2-1-14-11(16)7-15/h3-5H,1-2,6-7,13H2,(H,14,16)
InChIKeyWFPBRAJYIOBEPY-UHFFFAOYSA-N
XLogP0.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one?
The IUPAC name of 4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one (CID 102813310) is 4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one.
What is the SMILES notation for 4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one?
The canonical SMILES for 4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one is NCc1cc(F)cc(N2CCNC(=O)C2)c1.
What is the InChIKey of 4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one?
The InChIKey is WFPBRAJYIOBEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-9-3-8(6-13)4-10(5-9)15-2-1-14-11(16)7-15/h3-5H,1-2,6-7,13H2,(H,14,16).
What are the key properties of 4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one?
4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one has a molecular weight of 223.25 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one is sourced from PubChem (CID 102813310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).