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2-[3-(1H-imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine

ChemBase ID: 320104
Molecular Formular: C14H19N5O
Molecular Mass: 273.33356
Monoisotopic Mass: 273.15896025
SMILES and InChIs

SMILES:
N1(c2c(nccn2)OC)CC(Cn2cncc2)CCC1
Canonical SMILES:
COc1nccnc1N1CCCC(C1)Cn1cncc1
InChI:
InChI=1S/C14H19N5O/c1-20-14-13(16-4-5-17-14)19-7-2-3-12(10-19)9-18-8-6-15-11-18/h4-6,8,11-12H,2-3,7,9-10H2,1H3
InChIKey:
SJHYENRVMVBVKF-UHFFFAOYSA-N

Cite this record

CBID:320104 http://www.chembase.cn/molecule-320104.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[3-(1H-imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine
IUPAC Traditional name
2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine
Synonyms
2-[3-(1H-imidazol-1-ylmethyl)-1-piperidinyl]-3-methoxypyrazine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.5617922  LogD (pH = 7.4) 1.0260558 
Log P 1.0944346  Molar Refractivity 77.3547 cm3
Polarizability 28.861433 Å3 Polar Surface Area 56.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.8  LOG S -2.73 
Polar Surface Area 56.07 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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