CAS RN: 5321-49-3
1-(2-PHENYLETHYL)PIPERAZINE
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS5321-49-3
- Purity/Analytical Methods: >99.0%
5321-49-3 / 1-(2-phenylethyl)piperazine
Basic Information
CAS
5321-49-3
Multi CAS
Yes
Molecular Formula
C12H18N2
Molecular Weight
190.280000
Exact Mass
190.146999
InChI
InChI=1S/C12H18N2/c1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14/h1-5,13H,6-11H2
InChIKey
LKUAPSRIYZLAAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.46
TPSA
15.27
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
1.6
Consensus LogP
1.24
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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