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CAS 97181-50-5 N-(1-Benzylpiperidin-4-yl)-2,2,2-trifluoroacetamide molecular structure lightbox
CAS RN: 97181-50-5

N-(1-Benzylpiperidin-4-yl)-2,2,2-trifluoroacetamide

  • Product code: SSC-212223
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 97181-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

97181-50-5 / N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoroacetamide

Standard CAS: 97181-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97181-50-5
Multi CAS
No
Molecular Formula
C14F3H17N2O
Molecular Weight
286.290000
Exact Mass
286.129298
InChI
InChI=1S/C14H17F3N2O/c15-14(16,17)13(20)18-12-6-8-19(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,18,20)
InChIKey
UIUDAKGVCDDOPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.94
TPSA
32.34

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
2.7
Consensus LogP
2.36
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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