5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole

C15H19BrN2 — CID 84644930

IUPAC5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole
SMILESCc1[nH]c2ccc(Br)cc2c1CC1CCCNC1
InChIInChI=1S/C15H19BrN2/c1-10-13(7-11-3-2-6-17-9-11)14-8-12(16)4-5-15(14)18-10/h4-5,8,11,17-18H,2-3,6-7,9H2,1H3
InChIKeyCXAPUJUARFNEMK-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.78
Rot. Bonds2

About 5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole

5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole (PubChem CID 84644930) has the molecular formula C15H19BrN2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole
PubChem CID84644930
Molecular FormulaC15H19BrN2
Molecular Weight307.23 g/mol
Exact Mass306.07
IUPAC Name5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole
SMILESCc1[nH]c2ccc(Br)cc2c1CC1CCCNC1
InChIInChI=1S/C15H19BrN2/c1-10-13(7-11-3-2-6-17-9-11)14-8-12(16)4-5-15(14)18-10/h4-5,8,11,17-18H,2-3,6-7,9H2,1H3
InChIKeyCXAPUJUARFNEMK-UHFFFAOYSA-N
XLogP3.78
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.78
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-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 84645834
2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84636243
2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole
CID 117358368
6-bromo-2-methyl-3-piperidin-3-yl-1H-indole
CID 84643993
6-methyl-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 84635995
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide
CID 38702160
5-bromo-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 84813511
(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
3-[(2-bromo-3,6-dimethoxyphenyl)methyl]piperidine
CID 117499754
7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84633339
5-(4-bromo-2-methylphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221693
2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol
CID 84812910

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole?
The IUPAC name of 5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole (CID 84644930) is 5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole.
What is the SMILES notation for 5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole?
The canonical SMILES for 5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole is Cc1[nH]c2ccc(Br)cc2c1CC1CCCNC1.
What is the InChIKey of 5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole?
The InChIKey is CXAPUJUARFNEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-10-13(7-11-3-2-6-17-9-11)14-8-12(16)4-5-15(14)18-10/h4-5,8,11,17-18H,2-3,6-7,9H2,1H3.
What are the key properties of 5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole?
5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole has a molecular weight of 307.23 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole is sourced from PubChem (CID 84644930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).