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CAS 169253-07-0 3-Piperidineacetic acid, 1-acetyl- molecular structure lightbox
CAS RN: 169253-07-0

3-Piperidineacetic acid, 1-acetyl-

  • Product code: SSC-073865
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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 169253-07-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

169253-07-0 / 2-(1-acetylpiperidin-3-yl)acetic acid

Standard CAS: 169253-07-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169253-07-0
Multi CAS
No
Molecular Formula
C9H15NO3
Molecular Weight
185.220000
Exact Mass
185.105193
SMILES
CC(=O)N1CCCC(C1)CC(=O)O
InChI
InChI=1S/C9H15NO3/c1-7(11)10-4-2-3-8(6-10)5-9(12)13/h8H,2-6H2,1H3,(H,12,13)
InChIKey
UHQRCEZHYXCOPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.23
TPSA
57.61

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
Consensus LogP
0.45
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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