CAS RN: 864369-94-8
1-Boc-4-methyl-4-(4-methylpiperazin-1-yl)piperidine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250118 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS864369-94-8
- Purity/Analytical Methods: >99.0%
864369-94-8 / tert-butyl 4-methyl-4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate
Basic Information
CAS
864369-94-8
Multi CAS
No
Molecular Formula
C16H31N3O2
Molecular Weight
297.440000
Exact Mass
297.241627
InChI
InChI=1S/C16H31N3O2/c1-15(2,3)21-14(20)18-8-6-16(4,7-9-18)19-12-10-17(5)11-13-19/h6-13H2,1-5H3
InChIKey
BPRGPSLSNOQMJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.94
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
84.52
TPSA
36.02
LogP / Solubility
WLOGP
2.02
MLOGP
1.79
XLogP3
1.7
Consensus LogP
1.84
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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