6-bromo-2-methyl-3-piperidin-3-yl-1H-indole

C14H17BrN2 — CID 84643993

IUPAC6-bromo-2-methyl-3-piperidin-3-yl-1H-indole
SMILESCc1[nH]c2cc(Br)ccc2c1C1CCCNC1
InChIInChI=1S/C14H17BrN2/c1-9-14(10-3-2-6-16-8-10)12-5-4-11(15)7-13(12)17-9/h4-5,7,10,16-17H,2-3,6,8H2,1H3
InChIKeyYBXBCJMJGOYRPM-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.71
Rot. Bonds1

About 6-bromo-2-methyl-3-piperidin-3-yl-1H-indole

6-bromo-2-methyl-3-piperidin-3-yl-1H-indole (PubChem CID 84643993) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-piperidin-3-yl-1H-indole.

Molecular Properties

Compound Name6-bromo-2-methyl-3-piperidin-3-yl-1H-indole
PubChem CID84643993
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name6-bromo-2-methyl-3-piperidin-3-yl-1H-indole
SMILESCc1[nH]c2cc(Br)ccc2c1C1CCCNC1
InChIInChI=1S/C14H17BrN2/c1-9-14(10-3-2-6-16-8-10)12-5-4-11(15)7-13(12)17-9/h4-5,7,10,16-17H,2-3,6,8H2,1H3
InChIKeyYBXBCJMJGOYRPM-UHFFFAOYSA-N
XLogP3.71
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-methyl-3-(1-methylazetidin-3-yl)-1H-indole
CID 90693258
3-(azepan-4-yl)-2-methyl-1H-indole
CID 82288280
5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84644930
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856
(3S)-3-(5-bromo-2-chlorophenyl)piperidine
CID 130619016
3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine
CID 115010407
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
CID 117480622
3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117499540
2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole
CID 84786345
3-(2-chloro-4,6-dimethylphenyl)piperidine
CID 84789545

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3-piperidin-3-yl-1H-indole?
The IUPAC name of 6-bromo-2-methyl-3-piperidin-3-yl-1H-indole (CID 84643993) is 6-bromo-2-methyl-3-piperidin-3-yl-1H-indole.
What is the SMILES notation for 6-bromo-2-methyl-3-piperidin-3-yl-1H-indole?
The canonical SMILES for 6-bromo-2-methyl-3-piperidin-3-yl-1H-indole is Cc1[nH]c2cc(Br)ccc2c1C1CCCNC1.
What is the InChIKey of 6-bromo-2-methyl-3-piperidin-3-yl-1H-indole?
The InChIKey is YBXBCJMJGOYRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-9-14(10-3-2-6-16-8-10)12-5-4-11(15)7-13(12)17-9/h4-5,7,10,16-17H,2-3,6,8H2,1H3.
What are the key properties of 6-bromo-2-methyl-3-piperidin-3-yl-1H-indole?
6-bromo-2-methyl-3-piperidin-3-yl-1H-indole has a molecular weight of 293.21 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3-piperidin-3-yl-1H-indole is sourced from PubChem (CID 84643993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).