CAS RN: 1779126-53-2
3-Methyl-2-(piperidin-3-yloxy)pyridine hydrochloride
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.20250716 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1779126-53-2
- Purity/Analytical Methods: >99.0%
1779126-53-2 / 3-methyl-2-piperidin-3-yloxypyridine;hydrochloride
Basic Information
CAS
1779126-53-2
Multi CAS
No
Molecular Formula
C11H17ClN2O
Molecular Weight
228.720000
Exact Mass
228.102941
SMILES
CC1=C(N=CC=C1)OC2CCCNC2.Cl
InChI
InChI=1S/C11H16N2O.ClH/c1-9-4-2-7-13-11(9)14-10-5-3-6-12-8-10;/h2,4,7,10,12H,3,5-6,8H2,1H3;1H
InChIKey
LDPHADJYKNJZJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.74
TPSA
34.15
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
1.94
Consensus LogP
1.86
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.74
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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