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CAS 194427-25-3 Piperidine, 1-(3-azetidinyl)-4-fluoro- (9CI) molecular structure lightbox
CAS RN: 194427-25-3

Piperidine, 1-(3-azetidinyl)-4-fluoro- (9CI)

  • Product code: SSC-091761
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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 194427-25-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

194427-25-3 / 1-(azetidin-3-yl)-4-fluoropiperidine

Standard CAS: 194427-25-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
194427-25-3
Multi CAS
No
Molecular Formula
C8H15FN2
Molecular Weight
158.220000
Exact Mass
158.121927
SMILES
C1CN(CCC1F)C2CNC2
InChI
InChI=1S/C8H15FN2/c9-7-1-3-11(4-2-7)8-5-10-6-8/h7-8,10H,1-6H2
InChIKey
IAXLDDRNDNFPGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.36
TPSA
15.27

LogP / Solubility

WLOGP
0.39
MLOGP
0.34
XLogP3
0.6
Consensus LogP
0.44
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
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)
-3.41

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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