![CAS 1289385-66-5 [1-(1-Pyridin-2-yl-ethyl)-piperidin-3-yl]-Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62577234.gif)
CAS RN: 1289385-66-5
[1-(1-Pyridin-2-yl-ethyl)-piperidin-3-yl]-Methanol
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.20250711 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1289385-66-5
- Purity/Analytical Methods: >99.0%
1289385-66-5 / [1-(1-pyridin-2-ylethyl)piperidin-3-yl]methanol
Basic Information
CAS
1289385-66-5
Multi CAS
No
Molecular Formula
C13H20N2O
Molecular Weight
220.310000
Exact Mass
220.157563
SMILES
CC(C1=CC=CC=N1)N2CCCC(C2)CO
InChI
InChI=1S/C13H20N2O/c1-11(13-6-2-3-7-14-13)15-8-4-5-12(9-15)10-16/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3
InChIKey
CCCKFMGXAZWYAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.03
TPSA
36.36
LogP / Solubility
WLOGP
1.85
MLOGP
1.63
XLogP3
1.2
Consensus LogP
1.56
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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