NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-{[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl}-1-[(4-methylphenyl)methyl]piperazin-2-one
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IUPAC Traditional name
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4-{[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl}-1-[(4-methylphenyl)methyl]piperazin-2-one
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Synonyms
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4-{[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl}-1-(4-methylbenzyl)piperazin-2-one
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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8.208008
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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0.09660735
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LogD (pH = 7.4)
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0.85384303
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Log P
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0.9421876
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Molar Refractivity
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101.2171 cm3
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Polarizability
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38.665066 Å3
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Polar Surface Area
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76.9 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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2
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Log P
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0.91
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LOG S
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-2.57
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Polar Surface Area
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76.9 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent