5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline

C14H19BrF3N3 — CID 107286817

IUPAC5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Br)cc1NCCCN1CCNCC1
InChIInChI=1S/C14H19BrF3N3/c15-11-2-3-12(14(16,17)18)13(10-11)20-4-1-7-21-8-5-19-6-9-21/h2-3,10,19-20H,1,4-9H2
InChIKeyWFFUDGSGQVNTPH-UHFFFAOYSA-N
MW366.23 g/mol
LogP3.18
Rot. Bonds5

About 5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline

5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline (PubChem CID 107286817) has the molecular formula C14H19BrF3N3 and a molecular weight of 366.23 g/mol. Its IUPAC name is 5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline
PubChem CID107286817
Molecular FormulaC14H19BrF3N3
Molecular Weight366.23 g/mol
Exact Mass365.07
IUPAC Name5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Br)cc1NCCCN1CCNCC1
InChIInChI=1S/C14H19BrF3N3/c15-11-2-3-12(14(16,17)18)13(10-11)20-4-1-7-21-8-5-19-6-9-21/h2-3,10,19-20H,1,4-9H2
InChIKeyWFFUDGSGQVNTPH-UHFFFAOYSA-N
XLogP3.18
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 107286470
5-bromo-N-butyl-2-(trifluoromethyl)aniline
CID 107285846
4-[5-bromo-2-(trifluoromethyl)anilino]butan-1-ol
CID 107286675
3-[5-bromo-2-(trifluoromethyl)anilino]propane-1-sulfonamide
CID 107286165
5-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 107285802
N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43443470
5-bromo-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 107286988
4-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 116527840
3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide
CID 120706378
N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
CID 60790640
3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide;dihydrochloride
CID 120706377
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide
CID 60792385

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline (CID 107286817) is 5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Br)cc1NCCCN1CCNCC1.
What is the InChIKey of 5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline?
The InChIKey is WFFUDGSGQVNTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF3N3/c15-11-2-3-12(14(16,17)18)13(10-11)20-4-1-7-21-8-5-19-6-9-21/h2-3,10,19-20H,1,4-9H2.
What are the key properties of 5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline?
5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline has a molecular weight of 366.23 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 107286817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).