CAS RN: 2101206-97-5
tert-butyl 3′,3′-difluoro-1,4′-bipiperidine-1′-carboxylate
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.20250913 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2101206-97-5
- Purity/Analytical Methods: >99.0%
2101206-97-5 / tert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate
Basic Information
CAS
2101206-97-5
Multi CAS
No
Molecular Formula
C15H26F2N2O2
Molecular Weight
304.380000
Exact Mass
304.196234
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)(F)F)N2CCCCC2
InChI
InChI=1S/C15H26F2N2O2/c1-14(2,3)21-13(20)19-10-7-12(15(16,17)11-19)18-8-5-4-6-9-18/h12H,4-11H2,1-3H3
InChIKey
DKJQWXHZBGORRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
76.58
TPSA
32.78
LogP / Solubility
WLOGP
3.12
MLOGP
2.76
XLogP3
2.9
Consensus LogP
2.93
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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