4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole

C15H18BrClN2 — CID 178026750

IUPAC4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole
SMILESClc1ccc2c(ccn2CCC2CCNCC2)c1Br
InChIInChI=1S/C15H18BrClN2/c16-15-12-6-10-19(14(12)2-1-13(15)17)9-5-11-3-7-18-8-4-11/h1-2,6,10-11,18H,3-5,7-9H2
InChIKeyFHIYKPLLPASWRB-UHFFFAOYSA-N
MW341.68 g/mol
LogP4.45
Rot. Bonds3

About 4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole

4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole (PubChem CID 178026750) has the molecular formula C15H18BrClN2 and a molecular weight of 341.68 g/mol. Its IUPAC name is 4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole.

Molecular Properties

Compound Name4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole
PubChem CID178026750
Molecular FormulaC15H18BrClN2
Molecular Weight341.68 g/mol
Exact Mass340.03
IUPAC Name4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole
SMILESClc1ccc2c(ccn2CCC2CCNCC2)c1Br
InChIInChI=1S/C15H18BrClN2/c16-15-12-6-10-19(14(12)2-1-13(15)17)9-5-11-3-7-18-8-4-11/h1-2,6,10-11,18H,3-5,7-9H2
InChIKeyFHIYKPLLPASWRB-UHFFFAOYSA-N
XLogP4.45
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.68
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole?
The IUPAC name of 4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole (CID 178026750) is 4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole.
What is the SMILES notation for 4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole?
The canonical SMILES for 4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole is Clc1ccc2c(ccn2CCC2CCNCC2)c1Br.
What is the InChIKey of 4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole?
The InChIKey is FHIYKPLLPASWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2/c16-15-12-6-10-19(14(12)2-1-13(15)17)9-5-11-3-7-18-8-4-11/h1-2,6,10-11,18H,3-5,7-9H2.
What are the key properties of 4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole?
4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole has a molecular weight of 341.68 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole is sourced from PubChem (CID 178026750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).