NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol
|
|
|
IUPAC Traditional name
|
|
Synonyms
|
Traxoprodil
|
CP-101,606
|
Traxoprodil
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
CHEMBL
|
|
Chemspider ID
|
|
Unique Ingredient Identifier
|
|
Wikipedia Title
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
|
Data ID
|
Price
|
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
4
|
H Donor
|
3
|
LogD (pH = 5.5)
|
-0.66286975
|
LogD (pH = 7.4)
|
1.0385036
|
Log P
|
2.0620441
|
Molar Refractivity
|
95.1894 cm3
|
Polarizability
|
37.28923 Å3
|
Polar Surface Area
|
63.93 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
Acid pKa
|
9.540815
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
DETAILS
DETAILS
Wikipedia
PATENTS
PATENTS
PubChem Patent
Google Patent