NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-[1-(propan-2-yl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethan-1-ol
|
|
|
IUPAC Traditional name
|
2-{1-isopropyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-2-yl}ethanol
|
|
|
Synonyms
|
2-[1-isopropyl-4-(2,4,5-trimethoxybenzyl)-2-piperazinyl]ethanol
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
15.921745
|
H Acceptors
|
6
|
H Donor
|
1
|
LogD (pH = 5.5)
|
-1.5046304
|
LogD (pH = 7.4)
|
0.21244165
|
Log P
|
1.4917562
|
Molar Refractivity
|
100.0357 cm3
|
Polarizability
|
39.237858 Å3
|
Polar Surface Area
|
54.4 Å2
|
Rotatable Bonds
|
8
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
6
|
H Donor
|
1
|
Log P
|
2.48
|
LOG S
|
-0.63
|
Polar Surface Area
|
54.4 Å2
|
Rotatable Bonds
|
4
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent