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CAS 1690-72-8 1-METHYL-PIPERIDINE-3-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 1690-72-8

1-METHYL-PIPERIDINE-3-CARBOXYLIC ACID METHYL ESTER

  • Product code: SSC-073644
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 25g, 5g, 10g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1690-72-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 4 In Stock Beijing Inquiry
25g ≥97% 4 In Stock Beijing Inquiry
5g ≥97% 3 In Stock Shanghai Inquiry
10g ≥97% 3 In Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

1690-72-8 / methyl 1-methylpiperidine-3-carboxylate

Standard CAS: 1690-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1690-72-8
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
CN1CCCC(C1)C(=O)OC
InChI
InChI=1S/C8H15NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h7H,3-6H2,1-2H3
InChIKey
LLEOWWWENNCINW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.24
TPSA
29.54

LogP / Solubility

WLOGP
0.5
MLOGP
0.44
XLogP3
0.6
Consensus LogP
0.51
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-3.32

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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