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CAS 1690-74-0 1-methyl-piperidine-2-carboxylicacidmethylester molecular structure lightbox
CAS RN: 1690-74-0

1-methyl-piperidine-2-carboxylicacidmethylester

  • Product code: SSC-073645
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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: 100g
  • 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 1690-74-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

1690-74-0 / methyl 1-methylpiperidine-2-carboxylate

Standard CAS: 1690-74-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1690-74-0
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
CN1CCCCC1C(=O)OC
InChI
InChI=1S/C8H15NO2/c1-9-6-4-3-5-7(9)8(10)11-2/h7H,3-6H2,1-2H3
InChIKey
YZEGGKQFWJCIQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.29
TPSA
29.54

LogP / Solubility

WLOGP
0.64
MLOGP
0.56
XLogP3
1.1
Consensus LogP
0.77
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-3.22

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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