CAS RN: 51619-55-7
1-(1-HEXYL)-PIPERAZINE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: starshine_CAS51619-55-7
- Purity/Analytical Methods: >99.0%
51619-55-7 / 1-hexylpiperazine
Basic Information
CAS
51619-55-7
Multi CAS
No
Molecular Formula
C10H22N2
Molecular Weight
170.300000
Exact Mass
170.178299
InChI
InChI=1S/C10H22N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h11H,2-10H2,1H3
InChIKey
WRFUXAYDZDQDKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.45
TPSA
15.27
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
1.9
Consensus LogP
1.55
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
