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CAS 67686-05-9 1-METHYL-4-PIPERIDINEACETIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 67686-05-9

1-METHYL-4-PIPERIDINEACETIC ACID ETHYL ESTER

  • Product code: SSC-177440
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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: 5g
  • 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 67686-05-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

67686-05-9 / ethyl 2-(1-methylpiperidin-4-yl)acetate

Standard CAS: 67686-05-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67686-05-9
Multi CAS
No
Molecular Formula
C10H19NO2
Molecular Weight
185.260000
Exact Mass
185.141579
InChI
InChI=1S/C10H19NO2/c1-3-13-10(12)8-9-4-6-11(2)7-5-9/h9H,3-8H2,1-2H3
InChIKey
ZUFWZYDSNSUYDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
51.47
TPSA
29.54

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
1.2
Consensus LogP
1.2
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.94

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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