5-Fluoro-3-(piperazin-1-ylmethyl)-1H-indole

• Catalog: OFC147595457
• CAS: 147595-45-7
• Category: Fluorinated Indoles
• Synonyms: 5-Fluoro-3-(1-piperazinylmethyl)indole
• Purity: 97%
• MDL Number: MFCD18073896

• IUPAC Name: 5-fluoro-3-(piperazin-1-ylmethyl)-1H-indole
• InChI: InChI=1S/C13H16FN3/c14-11-1-2-13-12(7-11)10(8-16-13)9-17-5-3-15-4-6-17/h1-2,7-8,15-16H,3-6,9H2
• InChI Key: PFOFHPUVOGVDPE-UHFFFAOYSA-N
• Isomeric SMILES: C1CN(CCN1)CC2=CNC3=C2C=C(C=C3)F

• Molecular Formula: C13H16FN3
• Molecular Weight: 233.28
• Storage: Keep in dark place, sealed in dry, 2-8 °C

• XLogP3-AA: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 233.13282569 g/mol
• Monoisotopic Mass: 233.13282569 g/mol
• Topological Polar Surface Area: 31.1Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 255