![CAS 1261232-82-9 [1-(5-Fluoro-pyrimidin-2-yl)-piperidin-3-yl]-methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82528977.gif)
CAS RN: 1261232-82-9
[1-(5-Fluoro-pyrimidin-2-yl)-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.20260502 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1261232-82-9
- Purity/Analytical Methods: >99.0%
1261232-82-9 / [1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanol
Basic Information
CAS
1261232-82-9
Multi CAS
No
Molecular Formula
C10H14FN3O
Molecular Weight
211.240000
Exact Mass
211.112090
SMILES
C1CC(CN(C1)C2=NC=C(C=N2)F)CO
InChI
InChI=1S/C10H14FN3O/c11-9-4-12-10(13-5-9)14-3-1-2-8(6-14)7-15/h4-5,8,15H,1-3,6-7H2
InChIKey
CKBZVBRTGKJPNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.01
TPSA
49.25
LogP / Solubility
WLOGP
0.82
MLOGP
0.73
XLogP3
0.8
Consensus LogP
0.78
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-3.42
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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