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CAS 71985-80-3 1-METHYLPIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE molecular structure lightbox
CAS RN: 71985-80-3

1-METHYLPIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE

  • Product code: SSC-181493
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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: 5g, 25g, 10g, 1g, 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 71985-80-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g 97% 5 In Stock Beijing Inquiry
25g 97% 5 In Stock Beijing Inquiry
10g 97% 4 In Stock Shanghai Inquiry
1g 97% 2 In Stock Shenzhen Inquiry
100g 97% 0 Out of Stock Shenzhen Inquiry

71985-80-3 / 1-methylpiperidin-1-ium-4-carboxylic acid chloride

Standard CAS: 71985-80-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71985-80-3
Multi CAS
Yes
Molecular Formula
C7H14CLNO2
Molecular Weight
179.640000
Exact Mass
179.071306
InChI
InChI=1S/C7H13NO2.ClH/c1-8-4-2-6(3-5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKey
NLUDEWJJEMHIIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
36.98
TPSA
41.74

LogP / Solubility

WLOGP
-4
MLOGP
-3.52
XLogP3
-4
Consensus LogP
-3.84
Log S (ESOL)
1.63
Class (ESOL)
Highly soluble
Log S (Ali)
1.86
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.37
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.66

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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