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CAS 1357923-41-1 2,2,2-Trifluoro-N-(piperidin-4-ylmethyl)ethanamine dihydrochloride molecular structure lightbox
CAS RN: 1357923-41-1

2,2,2-Trifluoro-N-(piperidin-4-ylmethyl)ethanamine dihydrochloride

  • Product code: SSC-044384
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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 1357923-41-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1357923-41-1 / 2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;dihydrochloride

Standard CAS: 1357923-41-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1357923-41-1
Multi CAS
No
Molecular Formula
C8H17Cl2F3N2
Molecular Weight
269.130000
Exact Mass
268.072088
SMILES
C1CNCCC1CNCC(F)(F)F.Cl.Cl
InChI
InChI=1S/C8H15F3N2.2ClH/c9-8(10,11)6-13-5-7-1-3-12-4-2-7;;/h7,12-13H,1-6H2;2*1H
InChIKey
JRQRCYAENRUVQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.01
TPSA
24.06

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
1.98
Consensus LogP
1.9
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.95

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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