NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-1-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]ethan-1-one
|
|
|
IUPAC Traditional name
|
2-[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-1-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]ethanone
|
|
|
Synonyms
|
1-[(1S*,2S*,4S*)-bicyclo[2.2.1]hept-5-en-2-ylacetyl]-4-(5-methylpyridin-2-yl)piperidin-4-ol
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
13.397594
|
H Acceptors
|
3
|
H Donor
|
1
|
LogD (pH = 5.5)
|
1.552299
|
LogD (pH = 7.4)
|
1.6691568
|
Log P
|
1.6708902
|
Molar Refractivity
|
94.586 cm3
|
Polarizability
|
36.370396 Å3
|
Polar Surface Area
|
53.43 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
3
|
H Donor
|
1
|
Log P
|
2.02
|
LOG S
|
-3.31
|
Polar Surface Area
|
53.43 Å2
|
Rotatable Bonds
|
3
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent