CAS RN: 173447-91-1
3-(4-FLUORO-PHENYL)-PIPERIDIN-3-OL 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.20260108 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS173447-91-1
- Purity/Analytical Methods: >99.0%
173447-91-1 / 3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
Basic Information
CAS
173447-91-1
Multi CAS
No
Molecular Formula
C11H15ClFNO
Molecular Weight
231.690000
Exact Mass
231.082620
SMILES
C1CC(CNC1)(C2=CC=C(C=C2)F)O.Cl
InChI
InChI=1S/C11H14FNO.ClH/c12-10-4-2-9(3-5-10)11(14)6-1-7-13-8-11;/h2-5,13-14H,1,6-8H2;1H
InChIKey
OKSOJVWSNFKMLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.65
TPSA
32.26
LogP / Solubility
WLOGP
1.82
MLOGP
1.6
XLogP3
1.82
Consensus LogP
1.75
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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
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