4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one

C12H16FN3O — CID 106530760

IUPAC4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one
SMILESCNCc1cc(F)cc(N2CCNC(=O)C2)c1
InChIInChI=1S/C12H16FN3O/c1-14-7-9-4-10(13)6-11(5-9)16-3-2-15-12(17)8-16/h4-6,14H,2-3,7-8H2,1H3,(H,15,17)
InChIKeyMRHIHRNHLFGMEM-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.48
Rot. Bonds3

About 4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one

4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one (PubChem CID 106530760) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one
PubChem CID106530760
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one
SMILESCNCc1cc(F)cc(N2CCNC(=O)C2)c1
InChIInChI=1S/C12H16FN3O/c1-14-7-9-4-10(13)6-11(5-9)16-3-2-15-12(17)8-16/h4-6,14H,2-3,7-8H2,1H3,(H,15,17)
InChIKeyMRHIHRNHLFGMEM-UHFFFAOYSA-N
XLogP0.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one
CID 102813310
4-[2,6-difluoro-4-(methylaminomethyl)phenyl]piperazin-2-one
CID 55145830
1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 106530754
1-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106530973
1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 106530804
4-[3-chloro-4-(methylaminomethyl)phenyl]piperazin-2-one
CID 114064599
4-(4-ethylphenyl)piperazin-2-one
CID 117005105
1-[3-fluoro-5-(methylaminomethyl)phenyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 106531134
1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106530994
4-[4-[(propan-2-ylamino)methyl]phenyl]piperazin-2-one
CID 43281162
4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 62750903
1-(3-ethyl-5-fluorophenyl)piperazine
CID 84780261

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one?
The IUPAC name of 4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one (CID 106530760) is 4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one.
What is the SMILES notation for 4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one?
The canonical SMILES for 4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one is CNCc1cc(F)cc(N2CCNC(=O)C2)c1.
What is the InChIKey of 4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one?
The InChIKey is MRHIHRNHLFGMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-14-7-9-4-10(13)6-11(5-9)16-3-2-15-12(17)8-16/h4-6,14H,2-3,7-8H2,1H3,(H,15,17).
What are the key properties of 4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one?
4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one has a molecular weight of 237.28 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one is sourced from PubChem (CID 106530760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).