CAS RN: 129999-45-7
Ethanone, 2-(dimethylamino)-1-(4-hydroxy-1-piperidinyl)-
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.20251118 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS129999-45-7
- Purity/Analytical Methods: >99.0%
129999-45-7 / 2-(dimethylamino)-1-(4-hydroxypiperidin-1-yl)ethanone
Basic Information
CAS
129999-45-7
Multi CAS
No
Molecular Formula
C9H18N2O2
Molecular Weight
186.250000
Exact Mass
186.136828
SMILES
CN(C)CC(=O)N1CCC(CC1)O
InChI
InChI=1S/C9H18N2O2/c1-10(2)7-9(13)11-5-3-8(12)4-6-11/h8,12H,3-7H2,1-2H3
InChIKey
WGZLLRMEVVJORO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.37
TPSA
43.78
LogP / Solubility
WLOGP
-0.47
MLOGP
-0.41
XLogP3
-0.3
Consensus LogP
-0.39
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
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)
-4.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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