NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
4-{4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl}butan-1-ol
|
|
|
IUPAC Traditional name
|
4-{4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl}butan-1-ol
|
|
|
Synonyms
|
4-[4-(2,3-dimethoxybenzyl)-1-piperazinyl]-1-butanol
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
15.972566
|
H Acceptors
|
5
|
H Donor
|
1
|
LogD (pH = 5.5)
|
-1.3691692
|
LogD (pH = 7.4)
|
0.4036152
|
Log P
|
1.33364
|
Molar Refractivity
|
89.3795 cm3
|
Polarizability
|
34.878124 Å3
|
Polar Surface Area
|
45.17 Å2
|
Rotatable Bonds
|
8
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
5
|
H Donor
|
1
|
Log P
|
1.59
|
LOG S
|
-0.63
|
Polar Surface Area
|
45.17 Å2
|
Rotatable Bonds
|
6
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent