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CAS 2686-86-4 3-aminopiperidine-2,6-dione hydrochloride molecular structure lightbox
CAS RN: 2686-86-4

3-aminopiperidine-2,6-dione hydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250801 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS2686-86-4
  • Purity/Analytical Methods: >99.0%
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2686-86-4 / 3-aminopiperidine-2,6-dione;hydrochloride

Standard CAS: 2686-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2686-86-4
Multi CAS
No
Molecular Formula
C5H9ClN2O2
Molecular Weight
164.590000
Exact Mass
164.035255
SMILES
C1CC(=O)NC(=O)C1N.Cl
InChI
InChI=1S/C5H8N2O2.ClH/c6-3-1-2-4(8)7-5(3)9;/h3H,1-2,6H2,(H,7,8,9);1H
InChIKey
YCPULGHBTPQLRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
37.61
TPSA
72.19

LogP / Solubility

WLOGP
-0.83
MLOGP
-0.73
XLogP3
-0.83
Consensus LogP
-0.8
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.04
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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