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CAS 914347-17-4 2-PIPERIDIN-1-YLMETHYLBENZOIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 914347-17-4

2-PIPERIDIN-1-YLMETHYLBENZOIC ACID METHYL ESTER

  • Product code: SSC-204524
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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: ＞97%
  • 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 914347-17-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

914347-17-4 / methyl 2-(piperidin-1-ylmethyl)benzoate

Standard CAS: 914347-17-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914347-17-4
Multi CAS
No
Molecular Formula
C14H19NO2
Molecular Weight
233.310000
Exact Mass
233.141579
InChI
InChI=1S/C14H19NO2/c1-17-14(16)13-8-4-3-7-12(13)11-15-9-5-2-6-10-15/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKey
JWLYKHGRBOJVGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
66.91
TPSA
29.54

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
3.1
Consensus LogP
2.58
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly 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)
-2.4

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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