![CAS 193357-81-2 4-[4-(TRIFLUOROMETHYL)BENZYL]PIPERIDINE HCL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22646855.gif)
CAS RN: 193357-81-2
4-[4-(TRIFLUOROMETHYL)BENZYL]PIPERIDINE HCL
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.20250902 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS193357-81-2
- Purity/Analytical Methods: >99.0%
193357-81-2 / 4-[[4-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
Basic Information
CAS
193357-81-2
Multi CAS
No
Molecular Formula
C13H17ClF3N
Molecular Weight
279.730000
Exact Mass
279.100162
SMILES
C1CNCCC1CC2=CC=C(C=C2)C(F)(F)F.Cl
InChI
InChI=1S/C13H16F3N.ClH/c14-13(15,16)12-3-1-10(2-4-12)9-11-5-7-17-8-6-11;/h1-4,11,17H,5-9H2;1H
InChIKey
GHUPEZITEAKUTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.99
TPSA
12.03
LogP / Solubility
WLOGP
3.67
MLOGP
3.24
XLogP3
3.67
Consensus LogP
3.53
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly 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)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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