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CAS 71985-81-4 3-PIPERIDINE ACETIC ACID HCL molecular structure lightbox
CAS RN: 71985-81-4

3-PIPERIDINE ACETIC ACID HCL

  • Product code: SSC-181494
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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, 1g, 0.25g, 10g, 25g
  • Available purity: >95%
  • 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 71985-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 3 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
10g >95% 1 In Stock Shenzhen Inquiry
25g >95% 0 Out of Stock Beijing Inquiry

71985-81-4 / 2-piperidin-3-ylacetic acid;hydrochloride

Standard CAS: 71985-81-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71985-81-4
Multi CAS
Yes
Molecular Formula
C7H14CLNO2
Molecular Weight
179.640000
Exact Mass
179.071306
InChI
InChI=1S/C7H13NO2.ClH/c9-7(10)4-6-2-1-3-8-5-6;/h6,8H,1-5H2,(H,9,10);1H
InChIKey
IMUCGEDHTPKPBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.09
TPSA
49.33

LogP / Solubility

WLOGP
0.88
MLOGP
0.77
XLogP3
0.88
Consensus LogP
0.84
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.19

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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