6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole

C15H20FN3 — CID 82277487

IUPAC6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
SMILESFc1ccc2c(CCCN3CCNCC3)c[nH]c2c1
InChIInChI=1S/C15H20FN3/c16-13-3-4-14-12(11-18-15(14)10-13)2-1-7-19-8-5-17-6-9-19/h3-4,10-11,17-18H,1-2,5-9H2
InChIKeyZJJQQHJXZAGVAV-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.14
Rot. Bonds4

About 6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole

6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole (PubChem CID 82277487) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
PubChem CID82277487
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
SMILESFc1ccc2c(CCCN3CCNCC3)c[nH]c2c1
InChIInChI=1S/C15H20FN3/c16-13-3-4-14-12(11-18-15(14)10-13)2-1-7-19-8-5-17-6-9-19/h3-4,10-11,17-18H,1-2,5-9H2
InChIKeyZJJQQHJXZAGVAV-UHFFFAOYSA-N
XLogP2.14
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole
CID 144581327
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277483
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
5-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole-6-carboxylic acid
CID 83947109
6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 83949063
6-fluoro-3-(3-methoxypropyl)-1H-indole
CID 91114487
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111888512
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine
CID 83944159

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole?
The IUPAC name of 6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole (CID 82277487) is 6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole.
What is the SMILES notation for 6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole?
The canonical SMILES for 6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole is Fc1ccc2c(CCCN3CCNCC3)c[nH]c2c1.
What is the InChIKey of 6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole?
The InChIKey is ZJJQQHJXZAGVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c16-13-3-4-14-12(11-18-15(14)10-13)2-1-7-19-8-5-17-6-9-19/h3-4,10-11,17-18H,1-2,5-9H2.
What are the key properties of 6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole?
6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole has a molecular weight of 261.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole is sourced from PubChem (CID 82277487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).