CAS RN: 416876-71-6
(1-Benzyl-piperidin-4-yl)-(2-fluoro-phenyl)-amine
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.20250105 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS416876-71-6
- Purity/Analytical Methods: >99.0%
416876-71-6 / 1-benzyl-N-(2-fluorophenyl)piperidin-4-amine
Basic Information
CAS
416876-71-6
Multi CAS
No
Molecular Formula
C18FH21N2
Molecular Weight
284.400000
Exact Mass
284.168877
InChI
InChI=1S/C18H21FN2/c19-17-8-4-5-9-18(17)20-16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,20H,10-14H2
InChIKey
IJZSOVIRNVAJRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
84.76
TPSA
15.27
LogP / Solubility
WLOGP
3.9
MLOGP
3.44
XLogP3
4.1
Consensus LogP
3.81
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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