5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole

C14H18FN3 — CID 175207227

IUPAC5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole
SMILESCCC1C=CC2=NC(F)=C(N3CCNCC3)C2=C1
InChIInChI=1S/C14H18FN3/c1-2-10-3-4-12-11(9-10)13(14(15)17-12)18-7-5-16-6-8-18/h3-4,9-10,16H,2,5-8H2,1H3
InChIKeyOEOYKLSFVYVKFS-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.01
Rot. Bonds2

About 5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole

5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole (PubChem CID 175207227) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole.

Molecular Properties

Compound Name5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole
PubChem CID175207227
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole
SMILESCCC1C=CC2=NC(F)=C(N3CCNCC3)C2=C1
InChIInChI=1S/C14H18FN3/c1-2-10-3-4-12-11(9-10)13(14(15)17-12)18-7-5-16-6-8-18/h3-4,9-10,16H,2,5-8H2,1H3
InChIKeyOEOYKLSFVYVKFS-UHFFFAOYSA-N
XLogP2.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole?
The IUPAC name of 5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole (CID 175207227) is 5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole.
What is the SMILES notation for 5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole?
The canonical SMILES for 5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole is CCC1C=CC2=NC(F)=C(N3CCNCC3)C2=C1.
What is the InChIKey of 5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole?
The InChIKey is OEOYKLSFVYVKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-2-10-3-4-12-11(9-10)13(14(15)17-12)18-7-5-16-6-8-18/h3-4,9-10,16H,2,5-8H2,1H3.
What are the key properties of 5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole?
5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole has a molecular weight of 247.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole is sourced from PubChem (CID 175207227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).