NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[1-(cyclohex-1-ene-1-carbonyl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
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IUPAC Traditional name
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[1-(cyclohex-1-ene-1-carbonyl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
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Synonyms
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[1-(1-cyclohexen-1-ylcarbonyl)-3-(2,4-difluorobenzyl)-3-piperidinyl]methanol
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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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15.059475
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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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3.5572953
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LogD (pH = 7.4)
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3.557299
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Log P
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3.557299
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Molar Refractivity
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94.2526 cm3
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Polarizability
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35.589466 Å3
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Polar Surface Area
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40.54 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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2
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H Donor
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1
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Log P
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3.58
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LOG S
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-4.75
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Polar Surface Area
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40.54 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent