6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole

C15H19BrN2 — CID 58512228

IUPAC6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole
SMILESCN1CCC(c2cn(C)c3cc(Br)ccc23)CC1
InChIInChI=1S/C15H19BrN2/c1-17-7-5-11(6-8-17)14-10-18(2)15-9-12(16)3-4-13(14)15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyOQJBAHWVCRVKNN-UHFFFAOYSA-N
MW307.24 g/mol
LogP3.75
Rot. Bonds1

About 6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole

6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole (PubChem CID 58512228) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole.

Molecular Properties

Compound Name6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole
PubChem CID58512228
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole
SMILESCN1CCC(c2cn(C)c3cc(Br)ccc23)CC1
InChIInChI=1S/C15H19BrN2/c1-17-7-5-11(6-8-17)14-10-18(2)15-9-12(16)3-4-13(14)15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyOQJBAHWVCRVKNN-UHFFFAOYSA-N
XLogP3.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)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 6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole?
The IUPAC name of 6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole (CID 58512228) is 6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole.
What is the SMILES notation for 6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole?
The canonical SMILES for 6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole is CN1CCC(c2cn(C)c3cc(Br)ccc23)CC1.
What is the InChIKey of 6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole?
The InChIKey is OQJBAHWVCRVKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-17-7-5-11(6-8-17)14-10-18(2)15-9-12(16)3-4-13(14)15/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole?
6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole has a molecular weight of 307.24 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole is sourced from PubChem (CID 58512228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).