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CAS 1380680-50-1 Piperidine, 4-(3,3-difluoro-1-azetidinyl)-, hydrochloride molecular structure lightbox
CAS RN: 1380680-50-1

Piperidine, 4-(3,3-difluoro-1-azetidinyl)-, hydrochloride

  • Product code: SSC-048061
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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 1380680-50-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1380680-50-1 / 4-(3,3-difluoroazetidin-1-yl)piperidine;hydrochloride

Standard CAS: 1380680-50-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1380680-50-1
Multi CAS
No
Molecular Formula
C8H15ClF2N2
Molecular Weight
212.670000
Exact Mass
212.089183
SMILES
C1CNCCC1N2CC(C2)(F)F.Cl
InChI
InChI=1S/C8H14F2N2.ClH/c9-8(10)5-12(6-8)7-1-3-11-4-2-7;/h7,11H,1-6H2;1H
InChIKey
IQLMADPHNURAPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.66
TPSA
15.27

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
1.11
Consensus LogP
1.07
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately 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)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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