NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-methyl-4-[4-({4-[(methylsulfanyl)methyl]piperidin-1-yl}methyl)phenyl]butan-2-ol
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IUPAC Traditional name
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2-methyl-4-[4-({4-[(methylsulfanyl)methyl]piperidin-1-yl}methyl)phenyl]butan-2-ol
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Synonyms
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2-methyl-4-[4-({4-[(methylthio)methyl]-1-piperidinyl}methyl)phenyl]-2-butanol
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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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15.385124
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H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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0.7921345
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LogD (pH = 7.4)
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2.3839967
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Log P
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3.9947133
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Molar Refractivity
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99.0515 cm3
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Polarizability
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38.699287 Å3
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Polar Surface Area
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23.47 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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2
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H Donor
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1
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Log P
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3.5
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LOG S
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-3.53
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Polar Surface Area
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23.47 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