NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-(5-{[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)(methyl)amino]methyl}thiophen-2-yl)-2-methylbut-3-yn-2-ol
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IUPAC Traditional name
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4-(5-{[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)(methyl)amino]methyl}thiophen-2-yl)-2-methylbut-3-yn-2-ol
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Synonyms
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4-(5-{[({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)(methyl)amino]methyl}-2-thienyl)-2-methyl-3-butyn-2-ol
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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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13.64945
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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-1.3975123
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LogD (pH = 7.4)
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1.562183
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Log P
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5.0068526
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Molar Refractivity
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122.6326 cm3
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Polarizability
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47.60985 Å3
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Polar Surface Area
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26.71 Å2
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Rotatable Bonds
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9
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Lipinski's Rule of Five
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false
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H Acceptors
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3
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H Donor
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1
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Log P
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3.89
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LOG S
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-5.85
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Polar Surface Area
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26.71 Å2
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Rotatable Bonds
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9
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent