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CAS 25219-43-6 3-(hydroxymethyl)-2-Piperidinone molecular structure lightbox
CAS RN: 25219-43-6

3-(hydroxymethyl)-2-Piperidinone

  • Product code: SSC-120974
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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: 1g
  • Available purity: ≥95%
  • 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 25219-43-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

25219-43-6 / 3-(hydroxymethyl)piperidin-2-one

Standard CAS: 25219-43-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25219-43-6
Multi CAS
No
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
SMILES
C1CC(C(=O)NC1)CO
InChI
InChI=1S/C6H11NO2/c8-4-5-2-1-3-7-6(5)9/h5,8H,1-4H2,(H,7,9)
InChIKey
MCMKNOXDUBESOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.82
TPSA
49.33

LogP / Solubility

WLOGP
-0.5
MLOGP
-0.44
XLogP3
-0.1
Consensus LogP
-0.35
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
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)
-3.86

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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