4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one

C12H16FN3O — CID 18069544

IUPAC4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one
SMILESNC(CN1CCNC(=O)C1)c1cccc(F)c1
InChIInChI=1S/C12H16FN3O/c13-10-3-1-2-9(6-10)11(14)7-16-5-4-15-12(17)8-16/h1-3,6,11H,4-5,7-8,14H2,(H,15,17)
InChIKeyOLWSYYBQLDPKCL-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.26
Rot. Bonds3

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

4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one (PubChem CID 18069544) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one
PubChem CID18069544
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one
SMILESNC(CN1CCNC(=O)C1)c1cccc(F)c1
InChIInChI=1S/C12H16FN3O/c13-10-3-1-2-9(6-10)11(14)7-16-5-4-15-12(17)8-16/h1-3,6,11H,4-5,7-8,14H2,(H,15,17)
InChIKeyOLWSYYBQLDPKCL-UHFFFAOYSA-N
XLogP0.26
TPSA58.36 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 ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one
CID 55020579
1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one
CID 63771217
1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 107519754
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 60680435
4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one
CID 110897257
4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
CID 16790701
1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione
CID 107522890
4-[(2R)-2-aminopropyl]piperazin-2-one
CID 69001797
1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 107521219
4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one
CID 34182694
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)ethanamine
CID 107520322
1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 107521089

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one?
The IUPAC name of 4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one (CID 18069544) is 4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one?
The canonical SMILES for 4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one is NC(CN1CCNC(=O)C1)c1cccc(F)c1.
What is the InChIKey of 4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one?
The InChIKey is OLWSYYBQLDPKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-10-3-1-2-9(6-10)11(14)7-16-5-4-15-12(17)8-16/h1-3,6,11H,4-5,7-8,14H2,(H,15,17).
What are the key properties of 4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one?
4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one has a molecular weight of 237.28 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one is sourced from PubChem (CID 18069544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).