4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one

C12H16FN3O — CID 114058608

IUPAC4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one
SMILESCC(N)c1cccc(F)c1N1CCNC(=O)C1
InChIInChI=1S/C12H16FN3O/c1-8(14)9-3-2-4-10(13)12(9)16-6-5-15-11(17)7-16/h2-4,8H,5-7,14H2,1H3,(H,15,17)
InChIKeySDSBGDGUAMZJTI-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.78
Rot. Bonds2

About 4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one

4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one (PubChem CID 114058608) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one
PubChem CID114058608
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one
SMILESCC(N)c1cccc(F)c1N1CCNC(=O)C1
InChIInChI=1S/C12H16FN3O/c1-8(14)9-3-2-4-10(13)12(9)16-6-5-15-11(17)7-16/h2-4,8H,5-7,14H2,1H3,(H,15,17)
InChIKeySDSBGDGUAMZJTI-UHFFFAOYSA-N
XLogP0.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one
CID 66580191
1-[3-fluoro-2-(1,4-thiazepan-4-yl)phenyl]ethanamine
CID 114058661
1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,4-diazepan-5-one
CID 78941119
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1,4-diazepan-5-one
CID 55133341
4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one
CID 117340762
1-[1-(2-fluorophenyl)ethyl]imidazolidin-2-one
CID 115370506
4-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]piperazin-2-one
CID 78935671
4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one
CID 78939331
(1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine
CID 114058739
4-[2,6-difluoro-4-(methylaminomethyl)phenyl]piperazin-2-one
CID 55145830
4-(4-amino-2-fluorophenyl)piperazin-2-one
CID 28972585
4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one
CID 114059174

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one?
The IUPAC name of 4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one (CID 114058608) is 4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one?
The canonical SMILES for 4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one is CC(N)c1cccc(F)c1N1CCNC(=O)C1.
What is the InChIKey of 4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one?
The InChIKey is SDSBGDGUAMZJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-8(14)9-3-2-4-10(13)12(9)16-6-5-15-11(17)7-16/h2-4,8H,5-7,14H2,1H3,(H,15,17).
What are the key properties of 4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one?
4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one has a molecular weight of 237.28 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one is sourced from PubChem (CID 114058608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).