ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one

C13H19FN2O — CID 142142989

IUPACethane;1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCC.O=C1CNCCN1Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O.C2H6/c12-10-3-1-9(2-4-10)8-14-6-5-13-7-11(14)15;1-2/h1-4,13H,5-8H2;1-2H3
InChIKeyRUQXQEUIYIRIGE-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.78
Rot. Bonds2

About ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one

ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one (PubChem CID 142142989) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Nameethane;1-[(4-fluorophenyl)methyl]piperazin-2-one
PubChem CID142142989
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Nameethane;1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCC.O=C1CNCCN1Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O.C2H6/c12-10-3-1-9(2-4-10)8-14-6-5-13-7-11(14)15;1-2/h1-4,13H,5-8H2;1-2H3
InChIKeyRUQXQEUIYIRIGE-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]piperazin-2-one;2,2,2-trifluoroacetic acid
CID 171923482
1-[(4-fluorophenyl)methyl]-1,4-diazepane-2,5-dione
CID 64883955
1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 175277158
1-[(3,5-difluorophenyl)methyl]-1,4-diazepan-2-one
CID 105407900
1-[[4-(hydroxymethyl)phenyl]methyl]-1,4-diazepan-2-one
CID 113365948
1-[(3,4-difluorophenyl)methyl]-1,4-diazepan-2-one
CID 82930342
1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one
CID 84638554
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one
CID 68814715
4-[(4-methylphenyl)methyl]-1,4-diazepan-5-one
CID 53409912
1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride
CID 68814714
4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 166827609

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one (CID 142142989) is ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one is CC.O=C1CNCCN1Cc1ccc(F)cc1.
What is the InChIKey of ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is RUQXQEUIYIRIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O.C2H6/c12-10-3-1-9(2-4-10)8-14-6-5-13-7-11(14)15;1-2/h1-4,13H,5-8H2;1-2H3.
What are the key properties of ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one?
ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 238.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 142142989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).