CAS RN: 65477-76-1
Pyridine, 2-(3S)-3-piperidinyl-, hydrochloride (1:2)
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.20250326 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS65477-76-1
- Purity/Analytical Methods: >99.0%
65477-76-1 / 2-[(3S)-piperidin-3-yl]pyridine;dihydrochloride
Basic Information
CAS
65477-76-1
Multi CAS
No
Molecular Formula
C10H16Cl2N2
Molecular Weight
235.150000
Exact Mass
234.069054
SMILES
C1C[C@@H](CNC1)C2=CC=CC=N2.Cl.Cl
InChI
InChI=1S/C10H14N2.2ClH/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;;/h1-2,5,7,9,11H,3-4,6,8H2;2*1H/t9-;;/m0../s1
InChIKey
PLUYLODTLVNANT-WWPIYYJJSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.58
TPSA
24.92
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
2.39
Consensus LogP
2.3
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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