CAS RN: 848069-91-0
3-HydroxyMethyl-3-hydroxypiperidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260306 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS848069-91-0
- Purity/Analytical Methods: >99.0%
848069-91-0 / 3-(hydroxymethyl)piperidin-3-ol
Basic Information
CAS
848069-91-0
Multi CAS
Yes
Molecular Formula
C6H13NO2
Molecular Weight
131.170000
Exact Mass
131.094629
InChI
InChI=1S/C6H13NO2/c8-5-6(9)2-1-3-7-4-6/h7-9H,1-5H2
InChIKey
RNGTVNNILWIEBH-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
34.14
TPSA
52.49
LogP / Solubility
WLOGP
-0.91
MLOGP
-0.81
XLogP3
-1.2
Consensus LogP
-0.97
Log S (ESOL)
-0.02
Class (ESOL)
Very soluble
Log S (Ali)
0.02
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.12
Class (SILICOS-IT)
Highly 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)
-4.16
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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