4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline

C13H20FN3 — CID 63188373

IUPAC4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline
SMILESCCN1CCN(Cc2ccc(N)c(F)c2)CC1
InChIInChI=1S/C13H20FN3/c1-2-16-5-7-17(8-6-16)10-11-3-4-13(15)12(14)9-11/h3-4,9H,2,5-8,10,15H2,1H3
InChIKeyJJKDWBKUZBJEIN-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.55
Rot. Bonds3

About 4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline

4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline (PubChem CID 63188373) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline
PubChem CID63188373
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline
SMILESCCN1CCN(Cc2ccc(N)c(F)c2)CC1
InChIInChI=1S/C13H20FN3/c1-2-16-5-7-17(8-6-16)10-11-3-4-13(15)12(14)9-11/h3-4,9H,2,5-8,10,15H2,1H3
InChIKeyJJKDWBKUZBJEIN-UHFFFAOYSA-N
XLogP1.55
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine
CID 122520466
2-fluoro-4-[(4-methyl-1,4-diazepan-1-yl)methyl]aniline
CID 63188505
1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 55159077
4-[(4,4-dimethylazepan-1-yl)methyl]-2-fluoroaniline
CID 65282779
1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol
CID 106667782
2-fluoro-5-[(4-methylpiperazin-1-yl)methyl]aniline
CID 84789213
3-[(4-ethylpiperazin-1-yl)methyl]-5-fluoroaniline
CID 112645892
2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline
CID 175034441
4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline
CID 63188722
4-[(2-ethylazepan-1-yl)methyl]-2-fluoroaniline
CID 113441589
2-(4-ethylpiperazin-1-yl)-4-fluoroaniline
CID 62377784
[4-[(4-amino-3-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 81205798

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline?
The IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline (CID 63188373) is 4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for 4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline?
The canonical SMILES for 4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline is CCN1CCN(Cc2ccc(N)c(F)c2)CC1.
What is the InChIKey of 4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline?
The InChIKey is JJKDWBKUZBJEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-2-16-5-7-17(8-6-16)10-11-3-4-13(15)12(14)9-11/h3-4,9H,2,5-8,10,15H2,1H3.
What are the key properties of 4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline?
4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline has a molecular weight of 237.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 63188373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).