4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one

C14H20FN3O — CID 55020579

IUPAC4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one
SMILESCCC(N)C(c1cccc(F)c1)N1CCNC(=O)C1
InChIInChI=1S/C14H20FN3O/c1-2-12(16)14(10-4-3-5-11(15)8-10)18-7-6-17-13(19)9-18/h3-5,8,12,14H,2,6-7,9,16H2,1H3,(H,17,19)
InChIKeyLZIHNGYKLKHESI-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.04
Rot. Bonds4

About 4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one

4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one (PubChem CID 55020579) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one
PubChem CID55020579
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one
SMILESCCC(N)C(c1cccc(F)c1)N1CCNC(=O)C1
InChIInChI=1S/C14H20FN3O/c1-2-12(16)14(10-4-3-5-11(15)8-10)18-7-6-17-13(19)9-18/h3-5,8,12,14H,2,6-7,9,16H2,1H3,(H,17,19)
InChIKeyLZIHNGYKLKHESI-UHFFFAOYSA-N
XLogP1.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine
CID 62935470
1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine
CID 55020193
4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one
CID 18069544
1-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)butan-2-amine
CID 114537081
4-[2-amino-1-(4-chlorophenyl)butyl]-1,4-diazepan-2-one
CID 65361217
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039
4-[2-amino-1-(3-chlorophenyl)propyl]-1,4-diazepan-2-one
CID 65361473
1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine
CID 55020060
4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione
CID 66068681
1-(3-bromophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)butan-2-amine
CID 79189044
1-[2-amino-1-(3-methylphenyl)propyl]-1,4-diazepan-5-one
CID 55136222
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one?
The IUPAC name of 4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one (CID 55020579) is 4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one.
What is the SMILES notation for 4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one?
The canonical SMILES for 4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one is CCC(N)C(c1cccc(F)c1)N1CCNC(=O)C1.
What is the InChIKey of 4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one?
The InChIKey is LZIHNGYKLKHESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-2-12(16)14(10-4-3-5-11(15)8-10)18-7-6-17-13(19)9-18/h3-5,8,12,14H,2,6-7,9,16H2,1H3,(H,17,19).
What are the key properties of 4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one?
4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one has a molecular weight of 265.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one is sourced from PubChem (CID 55020579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).