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906352-82-7 molecular structure
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1-(6-methylpyrazin-2-yl)piperidine-4-carbaldehyde

ChemBase ID: 101403
Molecular Formular: C11H15N3O
Molecular Mass: 205.2563
Monoisotopic Mass: 205.12151212
SMILES and InChIs

SMILES:
N1(c2nc(cnc2)C)CCC(C=O)CC1
Canonical SMILES:
O=CC1CCN(CC1)c1cncc(n1)C
InChI:
InChI=1S/C11H15N3O/c1-9-6-12-7-11(13-9)14-4-2-10(8-15)3-5-14/h6-8,10H,2-5H2,1H3
InChIKey:
KWDJDKVUDZLNOD-UHFFFAOYSA-N

Cite this record

CBID:101403 http://www.chembase.cn/molecule-101403.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(6-methylpyrazin-2-yl)piperidine-4-carbaldehyde
IUPAC Traditional name
1-(6-methylpyrazin-2-yl)piperidine-4-carbaldehyde
Synonyms
1-(6-methylpyrazin-2-yl)piperidine-4-carbaldehyde
CAS Number
906352-82-7
MDL Number
MFCD09025895
PubChem SID
162087934
PubChem CID
18525897

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 18525897 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.755748  H Acceptors
H Donor LogD (pH = 5.5) 0.28561014 
LogD (pH = 7.4) 0.2862586  Log P 0.28626692 
Molar Refractivity 58.5343 cm3 Polarizability 21.839998 Å3
Polar Surface Area 46.09 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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