NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol
|
|
|
IUPAC Traditional name
|
2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethanol
|
|
|
Synonyms
|
4-[(R)-(4-Chlorophenyl)phenylmethyl]-1-piperazineethanol Hydrochloride
|
(R)-De(carboxymethyl) Cetirizine Ethanol Dihydrochloride
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
|
Data ID
|
Price
|
TRC
|
|
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
15.593098
|
H Acceptors
|
3
|
H Donor
|
1
|
LogD (pH = 5.5)
|
1.1345549
|
LogD (pH = 7.4)
|
2.8761787
|
Log P
|
3.459945
|
Molar Refractivity
|
96.0307 cm3
|
Polarizability
|
37.619503 Å3
|
Polar Surface Area
|
26.71 Å2
|
Rotatable Bonds
|
5
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent