CAS RN: 5321-62-0
1-(2-PHENYLETHYL)PIPERAZINE DIHYDROCHLORIDE
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS5321-62-0
- Purity/Analytical Methods: >99.0%
5321-62-0 / 1-(2-phenylethyl)piperazine;dihydrochloride
Basic Information
CAS
5321-62-0
Multi CAS
Yes
Molecular Formula
C12H20CL2N2
Molecular Weight
263.200000
Exact Mass
262.100354
InChI
InChI=1S/C12H18N2.2ClH/c1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14;;/h1-5,13H,6-11H2;2*1H
InChIKey
JWSRGCWCXUCWBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.95
TPSA
15.27
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
1.98
Consensus LogP
1.9
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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