NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(3R,4R)-4-(4-methylpiperazin-1-yl)-1-{[4-(methylsulfanyl)phenyl]methyl}piperidin-3-ol
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IUPAC Traditional name
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(3R,4R)-4-(4-methylpiperazin-1-yl)-1-{[4-(methylsulfanyl)phenyl]methyl}piperidin-3-ol
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Synonyms
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(3R*,4R*)-4-(4-methyl-1-piperazinyl)-1-[4-(methylthio)benzyl]-3-piperidinol
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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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14.22324
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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-3.1135213
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LogD (pH = 7.4)
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0.17356834
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Log P
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1.7264907
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Molar Refractivity
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99.9579 cm3
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Polarizability
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39.223637 Å3
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Polar Surface Area
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29.95 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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1
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Log P
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1.18
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LOG S
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-0.48
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Polar Surface Area
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29.95 Å2
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Rotatable Bonds
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3
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent