CAS RN: 1211583-41-3
(4-Trifluoromethyl-piperidin-4-yl)-carbamic acid tert-butyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250723 | 25mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1211583-41-3
- Purity/Analytical Methods: >99.0%
1211583-41-3 / tert-butyl N-[4-(trifluoromethyl)piperidin-4-yl]carbamate
tert-Butyl (4-(trifluoromethyl)piperidin-4-yl)carbamate | (4-TRIFLUOROMETHYL-PIPERIDIN-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER | tert-butyl N-[4-(trifluoromethyl)piperidin-4-yl]carbamate
Basic Information
CAS
1211583-41-3
Multi CAS
No
Molecular Formula
C11H19F3N2O2
Molecular Weight
268.280000
Exact Mass
268.139862
SMILES
CC(C)(C)OC(=O)NC1(CCNCC1)C(F)(F)F
InChI
InChI=1S/C11H19F3N2O2/c1-9(2,3)18-8(17)16-10(11(12,13)14)4-6-15-7-5-10/h15H,4-7H2,1-3H3,(H,16,17)
InChIKey
ARDURZHJNUKSSD-UHFFFAOYSA-N
Synonyms
tert-Butyl (4-(trifluoromethyl)piperidin-4-yl)carbamate
(4-TRIFLUOROMETHYL-PIPERIDIN-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER
tert-butyl N-[4-(trifluoromethyl)piperidin-4-yl]carbamate
MFCD11848167
AKOS027276487
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.26
TPSA
50.36
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
2
Consensus LogP
2.05
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.8
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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