5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole

C16H22FN3 — CID 10660028

IUPAC5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole
SMILESFc1ccc2[nH]cc(CCCCN3CCNCC3)c2c1
InChIInChI=1S/C16H22FN3/c17-14-4-5-16-15(11-14)13(12-19-16)3-1-2-8-20-9-6-18-7-10-20/h4-5,11-12,18-19H,1-3,6-10H2
InChIKeyWYICVZCBFLADDG-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.53
Rot. Bonds5

About 5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole

5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole (PubChem CID 10660028) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole
PubChem CID10660028
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole
SMILESFc1ccc2[nH]cc(CCCCN3CCNCC3)c2c1
InChIInChI=1S/C16H22FN3/c17-14-4-5-16-15(11-14)13(12-19-16)3-1-2-8-20-9-6-18-7-10-20/h4-5,11-12,18-19H,1-3,6-10H2
InChIKeyWYICVZCBFLADDG-UHFFFAOYSA-N
XLogP2.53
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole?
The IUPAC name of 5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole (CID 10660028) is 5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole.
What is the SMILES notation for 5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole?
The canonical SMILES for 5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole is Fc1ccc2[nH]cc(CCCCN3CCNCC3)c2c1.
What is the InChIKey of 5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole?
The InChIKey is WYICVZCBFLADDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c17-14-4-5-16-15(11-14)13(12-19-16)3-1-2-8-20-9-6-18-7-10-20/h4-5,11-12,18-19H,1-3,6-10H2.
What are the key properties of 5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole?
5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole has a molecular weight of 275.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-piperazin-1-ylbutyl)-1H-indole is sourced from PubChem (CID 10660028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).