NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-{[(3,3-dimethylbutyl)amino]methyl}-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
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IUPAC Traditional name
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3-{[(3,3-dimethylbutyl)amino]methyl}-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
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Synonyms
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3-{[(3,3-dimethylbutyl)amino]methyl}-1-(2-fluoro-5-methoxybenzyl)-3-hydroxypiperidin-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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12.460949
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-0.63681805
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LogD (pH = 7.4)
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0.37883574
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Log P
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2.549593
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Molar Refractivity
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100.1264 cm3
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Polarizability
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39.07734 Å3
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Polar Surface Area
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61.8 Å2
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Rotatable Bonds
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8
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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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2
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Log P
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2.61
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LOG S
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-4.1
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Polar Surface Area
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61.8 Å2
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Rotatable Bonds
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8
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent