CAS RN: 3929-30-4
4-(FLUOROPHENYL)-4-HYDROXYLPIPERIDINE HYDROCHLORIDE
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS3929-30-4
- Purity/Analytical Methods: >99.0%
3929-30-4 / 4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
Basic Information
CAS
3929-30-4
Multi CAS
Yes
Molecular Formula
C11H15CLFNO
Molecular Weight
231.690000
Exact Mass
231.082620
InChI
InChI=1S/C11H14FNO.ClH/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11;/h1-4,13-14H,5-8H2;1H
InChIKey
XWAMSNBDXDQRRN-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
1.5
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