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149669-43-2 molecular structure
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5-fluoro-3-(piperidin-4-yl)-1H-indole

ChemBase ID: 289723
Molecular Formular: C13H15FN2
Molecular Mass: 218.2700032
Monoisotopic Mass: 218.12192671
SMILES and InChIs

SMILES:
Fc1cc2c([nH]cc2C2CCNCC2)cc1
Canonical SMILES:
Fc1ccc2c(c1)c(c[nH]2)C1CCNCC1
InChI:
InChI=1S/C13H15FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-2,7-9,15-16H,3-6H2
InChIKey:
VQFAITGIMWXQQK-UHFFFAOYSA-N

Cite this record

CBID:289723 http://www.chembase.cn/molecule-289723.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoro-3-(piperidin-4-yl)-1H-indole
IUPAC Traditional name
5-fluoro-3-(piperidin-4-yl)-1H-indole
Synonyms
5-Fluoro-3-(piperidin-4-yl)-1H-indole
CAS Number
149669-43-2
PubChem SID
180675254
PubChem CID
11769929

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD225416 Please log in.
Data Source Data ID
PubChem 11769929 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.177055  H Acceptors
H Donor LogD (pH = 5.5) -0.9009847 
LogD (pH = 7.4) -0.22530888  Log P 2.3197746 
Molar Refractivity 62.7819 cm3 Polarizability 25.11611 Å3
Polar Surface Area 27.82 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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