CAS RN: 2101206-90-8
3′,3′-Difluoro-1,4′-bipiperidine dihydrochloride
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.20251203 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2101206-90-8
- Purity/Analytical Methods: >99.0%
2101206-90-8 / 3,3-difluoro-4-piperidin-1-ylpiperidine;dihydrochloride
Basic Information
CAS
2101206-90-8
Multi CAS
No
Molecular Formula
C10H20Cl2F2N2
Molecular Weight
277.180000
Exact Mass
276.097160
SMILES
C1CCN(CC1)C2CCNCC2(F)F.Cl.Cl
InChI
InChI=1S/C10H18F2N2.2ClH/c11-10(12)8-13-5-4-9(10)14-6-2-1-3-7-14;;/h9,13H,1-8H2;2*1H
InChIKey
FJTLDVHSQHMOBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.14
TPSA
15.27
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
2.31
Consensus LogP
2.22
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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