NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-{3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl}propane-1,3-diol
|
|
|
IUPAC Traditional name
|
2-{3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl}propane-1,3-diol
|
|
|
Synonyms
|
2-{3-[2-(2-fluorophenyl)ethyl]-1-piperidinyl}-1,3-propanediol
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
14.738206
|
H Acceptors
|
3
|
H Donor
|
2
|
LogD (pH = 5.5)
|
-1.0251328
|
LogD (pH = 7.4)
|
0.4832504
|
Log P
|
2.2507148
|
Molar Refractivity
|
78.3699 cm3
|
Polarizability
|
30.36197 Å3
|
Polar Surface Area
|
43.7 Å2
|
Rotatable Bonds
|
6
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
3
|
H Donor
|
2
|
Log P
|
3.75
|
LOG S
|
-3.45
|
Polar Surface Area
|
43.7 Å2
|
Rotatable Bonds
|
6
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent