3-[(4-fluorophenyl)methyl]piperazin-2-one

C11H13FN2O — CID 45037424

IUPAC3-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESO=C1NCCNC1Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O/c12-9-3-1-8(2-4-9)7-10-11(15)14-6-5-13-10/h1-4,10,13H,5-7H2,(H,14,15)
InChIKeyXQSPAQQCRGYRDS-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.46
Rot. Bonds2

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

3-[(4-fluorophenyl)methyl]piperazin-2-one (PubChem CID 45037424) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]piperazin-2-one
PubChem CID45037424
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name3-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESO=C1NCCNC1Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O/c12-9-3-1-8(2-4-9)7-10-11(15)14-6-5-13-10/h1-4,10,13H,5-7H2,(H,14,15)
InChIKeyXQSPAQQCRGYRDS-UHFFFAOYSA-N
XLogP0.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]piperazin-2-one (CID 45037424) is 3-[(4-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]piperazin-2-one is O=C1NCCNC1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is XQSPAQQCRGYRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-9-3-1-8(2-4-9)7-10-11(15)14-6-5-13-10/h1-4,10,13H,5-7H2,(H,14,15).
What are the key properties of 3-[(4-fluorophenyl)methyl]piperazin-2-one?
3-[(4-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 208.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 45037424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).