![CAS 1184997-21-4 3-[(3-Fluorobenzyl)oxy]piperidine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB11566335.gif)
CAS RN: 1184997-21-4
3-[(3-Fluorobenzyl)oxy]piperidine 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.20250308 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1184997-21-4
- Purity/Analytical Methods: >99.0%
1184997-21-4 / 3-[(3-fluorophenyl)methoxy]piperidine;hydrochloride
3-[(3-Fluorobenzyl)oxy]piperidine hydrochloride | 3-((3-Fluorobenzyl)oxy)piperidine hydrochloride | 3-(3-Fluoro-benzyloxy)-piperidine hydrochloride
Basic Information
CAS
1184997-21-4
Multi CAS
No
Molecular Formula
C12H17ClFNO
Molecular Weight
245.720000
Exact Mass
245.098270
SMILES
C1CC(CNC1)OCC2=CC(=CC=C2)F.Cl
InChI
InChI=1S/C12H16FNO.ClH/c13-11-4-1-3-10(7-11)9-15-12-5-2-6-14-8-12;/h1,3-4,7,12,14H,2,5-6,8-9H2;1H
InChIKey
KGDQHYUELZKVIO-UHFFFAOYSA-N
Synonyms
3-[(3-Fluorobenzyl)oxy]piperidine hydrochloride
3-((3-Fluorobenzyl)oxy)piperidine hydrochloride
3-(3-Fluoro-benzyloxy)-piperidine hydrochloride
3-[(3-fluorophenyl)methoxy]piperidine;hydrochloride
MFCD11506390
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.33
TPSA
21.26
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
2.52
Consensus LogP
2.42
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43
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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![CAS 1185012-60-5 2′,4′,6′,7′-tetrahydrospiro[1,3-dioxolane-2,5′-indazole] hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185012-60-5.gif)
