CAS RN: 1289385-52-9
1-(1-Pyridin-2-yl-ethyl)-piperidin-3-ol
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.20260510 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1289385-52-9
- Purity/Analytical Methods: >99.0%
1289385-52-9 / 1-(1-pyridin-2-ylethyl)piperidin-3-ol
Basic Information
CAS
1289385-52-9
Multi CAS
No
Molecular Formula
C12H18N2O
Molecular Weight
206.280000
Exact Mass
206.141913
SMILES
CC(C1=CC=CC=N1)N2CCCC(C2)O
InChI
InChI=1S/C12H18N2O/c1-10(12-6-2-3-7-13-12)14-8-4-5-11(15)9-14/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3
InChIKey
IKDJNGOSFJDSOY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.47
TPSA
36.36
LogP / Solubility
WLOGP
1.6
MLOGP
1.41
XLogP3
1
Consensus LogP
1.34
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.84
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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