1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine

C15H24FN3 — CID 43284384

IUPAC1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine
SMILESCCN1CCN(c2ccc(C(C)NC)cc2F)CC1
InChIInChI=1S/C15H24FN3/c1-4-18-7-9-19(10-8-18)15-6-5-13(11-14(15)16)12(2)17-3/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeyHBXYBPUFDUJPHB-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.25
Rot. Bonds4

About 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine

1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine (PubChem CID 43284384) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine
PubChem CID43284384
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine
SMILESCCN1CCN(c2ccc(C(C)NC)cc2F)CC1
InChIInChI=1S/C15H24FN3/c1-4-18-7-9-19(10-8-18)15-6-5-13(11-14(15)16)12(2)17-3/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeyHBXYBPUFDUJPHB-UHFFFAOYSA-N
XLogP2.25
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 63609919
1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 62909682
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 29080194
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060171
1-[3-bromo-4-(4-ethylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 62908315
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
CID 29080205
N-ethyl-1-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanamine
CID 43284437
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-2-amine
CID 29037241
4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine
CID 61404968
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine
CID 29064023
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 55131292

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine (CID 43284384) is 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine is CCN1CCN(c2ccc(C(C)NC)cc2F)CC1.
What is the InChIKey of 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine?
The InChIKey is HBXYBPUFDUJPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-4-18-7-9-19(10-8-18)15-6-5-13(11-14(15)16)12(2)17-3/h5-6,11-12,17H,4,7-10H2,1-3H3.
What are the key properties of 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine?
1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 43284384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).