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MFCD22373666 molecular structure
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4-{2-methyl-1H-imidazo[4,5-b]pyridin-1-yl}piperidine dihydrochloride

ChemBase ID: 71065
Molecular Formular: C12H18Cl2N4
Molecular Mass: 289.20412
Monoisotopic Mass: 288.09085196
SMILES and InChIs

SMILES:
n1c(n(c2c1nccc2)C1CCNCC1)C.Cl.Cl
Canonical SMILES:
Cc1nc2c(n1C1CCNCC1)cccn2.Cl.Cl
InChI:
InChI=1S/C12H16N4.2ClH/c1-9-15-12-11(3-2-6-14-12)16(9)10-4-7-13-8-5-10;;/h2-3,6,10,13H,4-5,7-8H2,1H3;2*1H
InChIKey:
LKYCKGIWRDIZIY-UHFFFAOYSA-N

Cite this record

CBID:71065 http://www.chembase.cn/molecule-71065.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{2-methyl-1H-imidazo[4,5-b]pyridin-1-yl}piperidine dihydrochloride
IUPAC Traditional name
4-{2-methylimidazo[4,5-b]pyridin-1-yl}piperidine dihydrochloride
Synonyms
4-{2-Methyl-1H-imidazo[4,5-b]pyridin-1-yl}piperidine dihydrochloride
MDL Number
MFCD22373666
PubChem SID
162036771
PubChem CID
66545129

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 66545129 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.874582  LogD (pH = 7.4) -2.2550957 
Log P 0.35733512  Molar Refractivity 63.8782 cm3
Polarizability 24.785711 Å3 Polar Surface Area 42.74 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
190 - 195 °C expand Show data source
190-195°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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