5-bromo-3-(piperidin-4-ylmethyl)-1H-indole

C14H17BrN2 — CID 3058416

IUPAC5-bromo-3-(piperidin-4-ylmethyl)-1H-indole
SMILESBrc1ccc2[nH]cc(CC3CCNCC3)c2c1
InChIInChI=1S/C14H17BrN2/c15-12-1-2-14-13(8-12)11(9-17-14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2
InChIKeyBYKSCLVBTLQLDK-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.47
Rot. Bonds2

About 5-bromo-3-(piperidin-4-ylmethyl)-1H-indole

5-bromo-3-(piperidin-4-ylmethyl)-1H-indole (PubChem CID 3058416) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 5-bromo-3-(piperidin-4-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(piperidin-4-ylmethyl)-1H-indole
PubChem CID3058416
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name5-bromo-3-(piperidin-4-ylmethyl)-1H-indole
SMILESBrc1ccc2[nH]cc(CC3CCNCC3)c2c1
InChIInChI=1S/C14H17BrN2/c15-12-1-2-14-13(8-12)11(9-17-14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2
InChIKeyBYKSCLVBTLQLDK-UHFFFAOYSA-N
XLogP3.47
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 5-bromo-3-(piperidin-4-ylmethyl)-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 5-bromo-3-(piperidin-4-ylmethyl)-1H-indole?
The IUPAC name of 5-bromo-3-(piperidin-4-ylmethyl)-1H-indole (CID 3058416) is 5-bromo-3-(piperidin-4-ylmethyl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(piperidin-4-ylmethyl)-1H-indole?
The canonical SMILES for 5-bromo-3-(piperidin-4-ylmethyl)-1H-indole is Brc1ccc2[nH]cc(CC3CCNCC3)c2c1.
What is the InChIKey of 5-bromo-3-(piperidin-4-ylmethyl)-1H-indole?
The InChIKey is BYKSCLVBTLQLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c15-12-1-2-14-13(8-12)11(9-17-14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2.
What are the key properties of 5-bromo-3-(piperidin-4-ylmethyl)-1H-indole?
5-bromo-3-(piperidin-4-ylmethyl)-1H-indole has a molecular weight of 293.21 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(piperidin-4-ylmethyl)-1H-indole is sourced from PubChem (CID 3058416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).