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CAS 686298-29-3 Piperidine, 4-(1-azetidinyl)- (9CI) molecular structure lightbox
CAS RN: 686298-29-3

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

  • Product code: SSC-178343
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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 686298-29-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

686298-29-3 / 4-(azetidin-1-yl)piperidine

Standard CAS: 686298-29-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
686298-29-3
Multi CAS
No
Molecular Formula
C8H16N2
Molecular Weight
140.230000
Exact Mass
140.131349
InChI
InChI=1S/C8H16N2/c1-6-10(7-1)8-2-4-9-5-3-8/h8-9H,1-7H2
InChIKey
DDOFLXMWWKLMSZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.08
TPSA
15.27

LogP / Solubility

WLOGP
0.44
MLOGP
0.38
XLogP3
0.5
Consensus LogP
0.44
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.06
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)
-3.26

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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