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CAS 1523618-06-5 4-aminopiperidin-2-one trifluoroacetate molecular structure lightbox
CAS RN: 1523618-06-5

4-aminopiperidin-2-one trifluoroacetate

  • Product code: SSC-062223
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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: 5g
  • Available purity: ＞97%
  • 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 1523618-06-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1523618-06-5 / 4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid

Standard CAS: 1523618-06-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1523618-06-5
Multi CAS
No
Molecular Formula
C7H11F3N2O3
Molecular Weight
228.170000
Exact Mass
228.072177
SMILES
C1CNC(=O)CC1N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C5H10N2O.C2HF3O2/c6-4-1-2-7-5(8)3-4;3-2(4,5)1(6)7/h4H,1-3,6H2,(H,7,8);(H,6,7)
InChIKey
UKOAYNOFHRXZEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.71
H-bond acceptors
3
H-bond donors
3
Molar refractivity
43.91
TPSA
92.42

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.12
XLogP3
-0.14
Consensus LogP
-0.13
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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