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CAS 682331-21-1 3-Hydroxymethylpiperidin-4-ol molecular structure lightbox
CAS RN: 682331-21-1

3-Hydroxymethylpiperidin-4-ol

  • Product code: SSC-177954
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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: 0.25g, 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 682331-21-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

682331-21-1 / 3-(hydroxymethyl)piperidin-4-ol

Standard CAS: 682331-21-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
682331-21-1
Multi CAS
No
Molecular Formula
C6H13NO2
Molecular Weight
131.170000
Exact Mass
131.094629
InChI
InChI=1S/C6H13NO2/c8-4-5-3-7-2-1-6(5)9/h5-9H,1-4H2
InChIKey
FQOGWNRPPJMSEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.07
TPSA
52.49

LogP / Solubility

WLOGP
-1.05
MLOGP
-0.93
XLogP3
-0.6
Consensus LogP
-0.86
Log S (ESOL)
0.07
Class (ESOL)
Highly soluble
Log S (Ali)
0.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.24
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)
-4.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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