2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole

C14H17BrFN3 — CID 84646187

IUPAC2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
SMILESCN1CCNCC1Cc1c(Br)[nH]c2ccc(F)cc12
InChIInChI=1S/C14H17BrFN3/c1-19-5-4-17-8-10(19)7-12-11-6-9(16)2-3-13(11)18-14(12)15/h2-3,6,10,17-18H,4-5,7-8H2,1H3
InChIKeyHVSXPRJTXDXKGW-UHFFFAOYSA-N
MW326.21 g/mol
LogP2.52
Rot. Bonds2

About 2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole

2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole (PubChem CID 84646187) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is 2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
PubChem CID84646187
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
SMILESCN1CCNCC1Cc1c(Br)[nH]c2ccc(F)cc12
InChIInChI=1S/C14H17BrFN3/c1-19-5-4-17-8-10(19)7-12-11-6-9(16)2-3-13(11)18-14(12)15/h2-3,6,10,17-18H,4-5,7-8H2,1H3
InChIKeyHVSXPRJTXDXKGW-UHFFFAOYSA-N
XLogP2.52
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
The IUPAC name of 2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole (CID 84646187) is 2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole.
What is the SMILES notation for 2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
The canonical SMILES for 2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole is CN1CCNCC1Cc1c(Br)[nH]c2ccc(F)cc12.
What is the InChIKey of 2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
The InChIKey is HVSXPRJTXDXKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-19-5-4-17-8-10(19)7-12-11-6-9(16)2-3-13(11)18-14(12)15/h2-3,6,10,17-18H,4-5,7-8H2,1H3.
What are the key properties of 2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole has a molecular weight of 326.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole is sourced from PubChem (CID 84646187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).