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55686-91-4 molecular structure
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2-(piperazin-1-yl)quinoxaline

ChemBase ID: 815762
Molecular Formular: C12H14N4
Molecular Mass: 214.26636
Monoisotopic Mass: 214.12184647
SMILES and InChIs

SMILES:
c1cc2c(cc1)ncc(n2)N1CCNCC1
Canonical SMILES:
N1CCN(CC1)c1cnc2c(n1)cccc2
InChI:
InChI=1S/C12H14N4/c1-2-4-11-10(3-1)14-9-12(15-11)16-7-5-13-6-8-16/h1-4,9,13H,5-8H2
InChIKey:
RELPOLSGTUYMFR-UHFFFAOYSA-N

Cite this record

CBID:815762 http://www.chembase.cn/molecule-815762.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(piperazin-1-yl)quinoxaline
IUPAC Traditional name
2-(piperazin-1-yl)quinoxaline
Synonyms
2-(piperazin-1-yl)quinoxaline
CAS Number
55686-91-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38179 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38179 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4803549  LogD (pH = 7.4) 0.10083631 
Log P 1.4656514  Molar Refractivity 62.9479 cm3
Polarizability 25.38358 Å3 Polar Surface Area 41.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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