CAS RN: 1206984-05-5
4-Trifluoromethoxypiperidine hydrochloride
- Product code: SSC-021850
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1206984-05-5 / 4-(trifluoromethoxy)piperidine
4-(TRIFLUOROMETHOXY)PIPERIDINE | MFCD22398617 | 4-Trifluoromethoxy-piperidine
Basic Information
CAS
1206984-05-5
Multi CAS
Yes
Molecular Formula
C6H10F3NO
Molecular Weight
169.140000
Exact Mass
169.071448
SMILES
C1CNCCC1OC(F)(F)F
InChI
InChI=1S/C6H10F3NO/c7-6(8,9)11-5-1-3-10-4-2-5/h5,10H,1-4H2
InChIKey
XXGQGFIISHCNSE-UHFFFAOYSA-N
Synonyms
4-(TRIFLUOROMETHOXY)PIPERIDINE
MFCD22398617
4-Trifluoromethoxy-piperidine
SCHEMBL2040720
SCHEMBL2040728
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.03
TPSA
21.26
LogP / Solubility
WLOGP
1.27
MLOGP
1.12
XLogP3
1.4
Consensus LogP
1.26
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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