3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one

C13H17FN2O — CID 55215575

IUPAC3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one
SMILESCCC1NCCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C13H17FN2O/c1-2-12-13(17)16(8-7-15-12)9-10-5-3-4-6-11(10)14/h3-6,12,15H,2,7-9H2,1H3
InChIKeyOLTHDCXWRZQAFI-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.54
Rot. Bonds3

About 3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one

3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one (PubChem CID 55215575) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one
PubChem CID55215575
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one
SMILESCCC1NCCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C13H17FN2O/c1-2-12-13(17)16(8-7-15-12)9-10-5-3-4-6-11(10)14/h3-6,12,15H,2,7-9H2,1H3
InChIKeyOLTHDCXWRZQAFI-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one (CID 55215575) is 3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one is CCC1NCCN(Cc2ccccc2F)C1=O.
What is the InChIKey of 3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is OLTHDCXWRZQAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-2-12-13(17)16(8-7-15-12)9-10-5-3-4-6-11(10)14/h3-6,12,15H,2,7-9H2,1H3.
What are the key properties of 3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one?
3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 236.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 55215575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).