4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline

C19H23BrFN3 — CID 142425578

IUPAC4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline
SMILESFC(CN1CCNCC1)CN(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrFN3/c20-16-6-8-19(9-7-16)24(18-4-2-1-3-5-18)15-17(21)14-23-12-10-22-11-13-23/h1-9,17,22H,10-15H2
InChIKeyDKYYHZRUQONRAS-UHFFFAOYSA-N
MW392.32 g/mol
LogP3.83
Rot. Bonds6

About 4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline

4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline (PubChem CID 142425578) has the molecular formula C19H23BrFN3 and a molecular weight of 392.32 g/mol. Its IUPAC name is 4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline.

Molecular Properties

Compound Name4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline
PubChem CID142425578
Molecular FormulaC19H23BrFN3
Molecular Weight392.32 g/mol
Exact Mass391.11
IUPAC Name4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline
SMILESFC(CN1CCNCC1)CN(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrFN3/c20-16-6-8-19(9-7-16)24(18-4-2-1-3-5-18)15-17(21)14-23-12-10-22-11-13-23/h1-9,17,22H,10-15H2
InChIKeyDKYYHZRUQONRAS-UHFFFAOYSA-N
XLogP3.83
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline?
The IUPAC name of 4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline (CID 142425578) is 4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline.
What is the SMILES notation for 4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline?
The canonical SMILES for 4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline is FC(CN1CCNCC1)CN(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline?
The InChIKey is DKYYHZRUQONRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrFN3/c20-16-6-8-19(9-7-16)24(18-4-2-1-3-5-18)15-17(21)14-23-12-10-22-11-13-23/h1-9,17,22H,10-15H2.
What are the key properties of 4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline?
4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline has a molecular weight of 392.32 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline is sourced from PubChem (CID 142425578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).