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CAS 817187-41-0 2-(Piperidin-4-yloxy)quinoline molecular structure lightbox
CAS RN: 817187-41-0

2-(Piperidin-4-yloxy)quinoline

  • Product code: SSC-190079
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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 817187-41-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

817187-41-0 / 2-piperidin-4-yloxyquinoline

Standard CAS: 817187-41-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
817187-41-0
Multi CAS
No
Molecular Formula
C14H16N2O
Molecular Weight
228.290000
Exact Mass
228.126263
InChI
InChI=1S/C14H16N2O/c1-2-4-13-11(3-1)5-6-14(16-13)17-12-7-9-15-10-8-12/h1-6,12,15H,7-10H2
InChIKey
PFWIDVRMXWTWAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.26
TPSA
34.15

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
2.2
Consensus LogP
2.22
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

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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