CAS RN: 1227056-84-9
4-(2-(2,4,6-Trifluorophenoxymethyl)phenyl)piperidine
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS1227056-84-9
- Purity/Analytical Methods: >99.0%
1227056-84-9 / 4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine
Basic Information
CAS
1227056-84-9
Multi CAS
No
Molecular Formula
C18H18F3NO
Molecular Weight
321.300000
Exact Mass
321.134049
SMILES
C1CNCCC1C2=CC=CC=C2COC3=C(C=C(C=C3F)F)F
InChI
InChI=1S/C18H18F3NO/c19-14-9-16(20)18(17(21)10-14)23-11-13-3-1-2-4-15(13)12-5-7-22-8-6-12/h1-4,9-10,12,22H,5-8,11H2
InChIKey
TZIALEBTHQWNAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
81.93
TPSA
21.26
LogP / Solubility
WLOGP
4.15
MLOGP
3.67
XLogP3
3.8
Consensus LogP
3.87
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
ETHYL 2-ACETAMIDO-2-(DIMETHOXYPHOSPHORYL)ACETATE
- CAS RN: 1227060-32-3
- Product Code: SSC-025843
-
1-[4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone
- CAS RN: 1227067-61-9
- Product Code: starshine_CAS1227067-61-9
- Purity/Analytical method: >99.0%
-
1,1,1-trifluoro-2-(piperidin-4-yl)propan-2-ol
- CAS RN: 1227068-37-2
- Product Code: SSC-025844
-
-
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridin-1(2h)-yl)ethanone
- CAS RN: 1227068-67-8
- Product Code: SSC-025846
-
2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane
- CAS RN: 1227068-84-9
- Product Code: SSC-025847
![CAS 1227067-61-9 1-[4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1227067-61-9.gif)
