CAS RN: 187669-62-1
1-(4-Trifluoromethoxyphenyl)piperazine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250218 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS187669-62-1
- Purity/Analytical Methods: >99.0%
187669-62-1 / 1-[4-(trifluoromethoxy)phenyl]piperazine
Basic Information
CAS
187669-62-1
Multi CAS
No
Molecular Formula
C11H13F3N2O
Molecular Weight
246.230000
Exact Mass
246.097998
SMILES
C1CN(CCN1)C2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C11H13F3N2O/c12-11(13,14)17-10-3-1-9(2-4-10)16-7-5-15-6-8-16/h1-4,15H,5-8H2
InChIKey
UWPIAGRNHBMGHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.21
TPSA
24.5
LogP / Solubility
WLOGP
1.99
MLOGP
1.76
XLogP3
2.4
Consensus LogP
2.05
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
Cis-tert-butyl 3-aMino-2-phenylpiperidine-1-carboxylate
- CAS RN: 187679-58-9
- Product Code: starshine_CAS187679-58-9
- Purity/Analytical method: >99.0%
-
(-)-1,2(2R,5R)-2,5-(DIMETHYLPHOSPHOLANO)BENZENE(CYCLOOCTADIENE)RHODIUM(I)TRIFLUOROMETHANESULFONATE
- CAS RN: 187682-63-9
- Product Code: SSC-087231
-
2-BUTYL-3,4-DIHYDRO-N,N-DIMETHYL-4-OXO-3-[[2′-(1H-TETRAZOL-5-YL)[1,1′-BIPHENYL-4-YL]METHYL]]-5H-IMIDAZO[4,5-C]PYRIDINE-5-ACETAMIDE HYDROCHLORIDE
- CAS RN: 187683-79-0
- Product Code: starshine_CAS187683-79-0
- Purity/Analytical method: >99.0%
-
PKI 166
- CAS RN: 187724-61-4
- Product Code: starshine_CAS187724-61-4
- Purity/Analytical method: >99.0%
-
4-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid ethyl ester
- CAS RN: 187724-93-2
- Product Code: starshine_CAS187724-93-2
- Purity/Analytical method: >99.0%
![CAS 187683-79-0 2-BUTYL-3,4-DIHYDRO-N,N-DIMETHYL-4-OXO-3-[[2′-(1H-TETRAZOL-5-YL)[1,1′-BIPHENYL-4-YL]METHYL]]-5H-IMIDAZO[4,5-C]PYRIDINE-5-ACETAMIDE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/187683-79-0.gif)
![CAS 187724-93-2 4-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/187724-93-2.gif)