![CAS 1683-49-4 4-[3-(TRIFLUOROMETHYL)PHENYL]-4-PIPERIDINOL HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1683-49-4.gif)
CAS RN: 1683-49-4
4-[3-(TRIFLUOROMETHYL)PHENYL]-4-PIPERIDINOL HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
5 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250222 | 2g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1683-49-4
- Purity/Analytical Methods: >99.0%
1683-49-4 / 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride
Basic Information
CAS
1683-49-4
Multi CAS
No
Molecular Formula
C12H15ClF3NO
Molecular Weight
281.700000
Exact Mass
281.079426
SMILES
C1CNCCC1(C2=CC(=CC=C2)C(F)(F)F)O.Cl
InChI
InChI=1S/C12H14F3NO.ClH/c13-12(14,15)10-3-1-2-9(8-10)11(17)4-6-16-7-5-11;/h1-3,8,16-17H,4-7H2;1H
InChIKey
SBKPKQORDCJPSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.69
TPSA
32.26
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.7
Consensus LogP
2.59
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
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)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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