2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole

C15H20BrN3 — CID 84646003

IUPAC2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
SMILESCc1cccc2c(CC3CNCCN3C)c(Br)[nH]c12
InChIInChI=1S/C15H20BrN3/c1-10-4-3-5-12-13(15(16)18-14(10)12)8-11-9-17-6-7-19(11)2/h3-5,11,17-18H,6-9H2,1-2H3
InChIKeyBNFZZTGIUIGGGA-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.68
Rot. Bonds2

About 2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole

2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole (PubChem CID 84646003) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
PubChem CID84646003
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
SMILESCc1cccc2c(CC3CNCCN3C)c(Br)[nH]c12
InChIInChI=1S/C15H20BrN3/c1-10-4-3-5-12-13(15(16)18-14(10)12)8-11-9-17-6-7-19(11)2/h3-5,11,17-18H,6-9H2,1-2H3
InChIKeyBNFZZTGIUIGGGA-UHFFFAOYSA-N
XLogP2.68
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
The IUPAC name of 2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole (CID 84646003) is 2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole.
What is the SMILES notation for 2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
The canonical SMILES for 2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole is Cc1cccc2c(CC3CNCCN3C)c(Br)[nH]c12.
What is the InChIKey of 2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
The InChIKey is BNFZZTGIUIGGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10-4-3-5-12-13(15(16)18-14(10)12)8-11-9-17-6-7-19(11)2/h3-5,11,17-18H,6-9H2,1-2H3.
What are the key properties of 2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole has a molecular weight of 322.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole is sourced from PubChem (CID 84646003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).