NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-{[(2,2-dimethylpropyl)amino]methyl}-3-hydroxy-1-{[4-(propan-2-yl)phenyl]methyl}piperidin-2-one
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IUPAC Traditional name
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3-{[(2,2-dimethylpropyl)amino]methyl}-3-hydroxy-1-[(4-isopropylphenyl)methyl]piperidin-2-one
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Synonyms
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3-{[(2,2-dimethylpropyl)amino]methyl}-3-hydroxy-1-(4-isopropylbenzyl)piperidin-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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12.459932
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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0.33989355
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LogD (pH = 7.4)
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1.389378
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Log P
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3.5209103
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Molar Refractivity
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102.8826 cm3
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Polarizability
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40.504017 Å3
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Polar Surface Area
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52.57 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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H Acceptors
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3
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H Donor
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2
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Log P
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3.37
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LOG S
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-4.61
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Polar Surface Area
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52.57 Å2
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Rotatable Bonds
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7
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent