5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole

C19H18BrFN2 — CID 10904809

IUPAC5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole
SMILESFc1ccc(-n2cc(C3CCNCC3)c3cc(Br)ccc32)cc1
InChIInChI=1S/C19H18BrFN2/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)16-4-2-15(21)3-5-16/h1-6,11-13,22H,7-10H2
InChIKeyXWZIKVLTJDVQEM-UHFFFAOYSA-N
MW373.27 g/mol
LogP5.00
Rot. Bonds2

About 5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole

5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole (PubChem CID 10904809) has the molecular formula C19H18BrFN2 and a molecular weight of 373.27 g/mol. Its IUPAC name is 5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole.

Molecular Properties

Compound Name5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole
PubChem CID10904809
Molecular FormulaC19H18BrFN2
Molecular Weight373.27 g/mol
Exact Mass372.06
IUPAC Name5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole
SMILESFc1ccc(-n2cc(C3CCNCC3)c3cc(Br)ccc32)cc1
InChIInChI=1S/C19H18BrFN2/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)16-4-2-15(21)3-5-16/h1-6,11-13,22H,7-10H2
InChIKeyXWZIKVLTJDVQEM-UHFFFAOYSA-N
XLogP5.00
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole 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-1-(4-fluorophenyl)-3-piperidin-4-ylindole?
The IUPAC name of 5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole (CID 10904809) is 5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole.
What is the SMILES notation for 5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole?
The canonical SMILES for 5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole is Fc1ccc(-n2cc(C3CCNCC3)c3cc(Br)ccc32)cc1.
What is the InChIKey of 5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole?
The InChIKey is XWZIKVLTJDVQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)16-4-2-15(21)3-5-16/h1-6,11-13,22H,7-10H2.
What are the key properties of 5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole?
5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole has a molecular weight of 373.27 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole is sourced from PubChem (CID 10904809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).