CAS RN: 956429-47-3
3-isobutylpiperidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250325 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS956429-47-3
- Purity/Analytical Methods: >99.0%
956429-47-3 / 3-(2-methylpropyl)piperidine
Basic Information
CAS
956429-47-3
Multi CAS
Yes
Molecular Formula
C9H19N
Molecular Weight
141.250000
Exact Mass
141.151750
InChI
InChI=1S/C9H19N/c1-8(2)6-9-4-3-5-10-7-9/h8-10H,3-7H2,1-2H3
InChIKey
YUDLRLBJRSTYDN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.05
TPSA
12.03
LogP / Solubility
WLOGP
2.03
MLOGP
1.78
XLogP3
2.2
Consensus LogP
2
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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