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941716-84-3 molecular structure
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methyl({[1-(6-methylpyrazin-2-yl)piperidin-3-yl]methyl})amine

ChemBase ID: 101408
Molecular Formular: C12H20N4
Molecular Mass: 220.314
Monoisotopic Mass: 220.16879666
SMILES and InChIs

SMILES:
N1(c2nc(cnc2)C)CC(CNC)CCC1
Canonical SMILES:
CNCC1CCCN(C1)c1cncc(n1)C
InChI:
InChI=1S/C12H20N4/c1-10-6-14-8-12(15-10)16-5-3-4-11(9-16)7-13-2/h6,8,11,13H,3-5,7,9H2,1-2H3
InChIKey:
CBRQUNBWUQBINE-UHFFFAOYSA-N

Cite this record

CBID:101408 http://www.chembase.cn/molecule-101408.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl({[1-(6-methylpyrazin-2-yl)piperidin-3-yl]methyl})amine
IUPAC Traditional name
methyl({[1-(6-methylpyrazin-2-yl)piperidin-3-yl]methyl})amine
Synonyms
N-methyl-[1-(6-methylpyrazin-2-yl)piperid-3-yl]methylamine
CAS Number
941716-84-3
MDL Number
MFCD09879920
PubChem SID
162087536
PubChem CID
24229603

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 24229603 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.714427  LogD (pH = 7.4) -2.2541187 
Log P 0.5176882  Molar Refractivity 65.9534 cm3
Polarizability 25.12798 Å3 Polar Surface Area 41.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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