NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-methyl-2-(pyrrolidin-1-yl)propan-1-one
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IUPAC Traditional name
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1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-methyl-2-(pyrrolidin-1-yl)propan-1-one
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Synonyms
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(3R*,4R*)-3-methyl-1-[2-methyl-2-(1-pyrrolidinyl)propanoyl]-4-(tetrahydro-2H-pyran-4-yl)-4-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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14.2714
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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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-2.0586452
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LogD (pH = 7.4)
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-0.31718838
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Log P
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0.8588286
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Molar Refractivity
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95.7603 cm3
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Polarizability
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37.58764 Å3
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Polar Surface Area
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53.01 Å2
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Rotatable Bonds
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3
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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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1.53
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LOG S
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-2.98
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Polar Surface Area
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53.01 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