CAS RN: 2102410-81-9
(3S,4R)-3-fluoro-1,4-bipiperidine(WXFC0196)
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.20250404 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2102410-81-9
- Purity/Analytical Methods: >99.0%
2102410-81-9 / (3S,4R)-3-fluoro-4-piperidin-1-ylpiperidine
Basic Information
CAS
2102410-81-9
Multi CAS
No
Molecular Formula
C10H19FN2
Molecular Weight
186.270000
Exact Mass
186.153227
SMILES
C1CCN(CC1)[C@@H]2CCNC[C@@H]2F
InChI
InChI=1S/C10H19FN2/c11-9-8-12-5-4-10(9)13-6-2-1-3-7-13/h9-10,12H,1-8H2/t9-,10+/m0/s1
InChIKey
PPNYOPTVJSKOPB-VHSXEESVSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.59
TPSA
15.27
LogP / Solubility
WLOGP
1.17
MLOGP
1.03
XLogP3
1.3
Consensus LogP
1.17
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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