![CAS 1185310-22-8 1-[1-(4-Fluoro-phenyl)-ethyl]-piperidin-4-ylaMine hydrochloride, 98+% C13H20Cl2FN2, MW: 258.77 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185310-22-8.gif)
CAS RN: 1185310-22-8
1-[1-(4-Fluoro-phenyl)-ethyl]-piperidin-4-ylaMine hydrochloride, 98+% C13H20Cl2FN2, MW: 258.77
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.20251018 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185310-22-8
- Purity/Analytical Methods: >99.0%
1185310-22-8 / 1-[1-(4-fluorophenyl)ethyl]piperidin-4-amine;hydrochloride
1-[1-(4-Fluoro-phenyl)-ethyl]-piperidin-4-ylamine hydrochloride | 1-(1-(4-Fluorophenyl)ethyl)piperidin-4-amine hydrochloride | 1-[1-(4-fluorophenyl)ethyl]piperidin-4-amine;hydrochloride
Basic Information
CAS
1185310-22-8
Multi CAS
No
Molecular Formula
C13H20ClFN2
Molecular Weight
258.760000
Exact Mass
258.129905
SMILES
CC(C1=CC=C(C=C1)F)N2CCC(CC2)N.Cl
InChI
InChI=1S/C13H19FN2.ClH/c1-10(11-2-4-12(14)5-3-11)16-8-6-13(15)7-9-16;/h2-5,10,13H,6-9,15H2,1H3;1H
InChIKey
LUXFPPVKCJQUNS-UHFFFAOYSA-N
Synonyms
1-[1-(4-Fluoro-phenyl)-ethyl]-piperidin-4-ylamine hydrochloride
1-(1-(4-Fluorophenyl)ethyl)piperidin-4-amine hydrochloride
1-[1-(4-fluorophenyl)ethyl]piperidin-4-amine;hydrochloride
DTXSID30671343
SBB074684
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.85
TPSA
29.26
LogP / Solubility
WLOGP
2.73
MLOGP
2.41
XLogP3
2.73
Consensus LogP
2.62
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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