CAS RN: 2566476-29-5
Ethanone, 1-(4-methyl-4-piperidinyl)-, hydrochloride (1:1)
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.20260219 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2566476-29-5
- Purity/Analytical Methods: >99.0%
2566476-29-5 / 1-(4-methylpiperidin-4-yl)ethanone;hydrochloride
Basic Information
CAS
2566476-29-5
Multi CAS
No
Molecular Formula
C8H16ClNO
Molecular Weight
177.670000
Exact Mass
177.092042
SMILES
CC(=O)C1(CCNCC1)C.Cl
InChI
InChI=1S/C8H15NO.ClH/c1-7(10)8(2)3-5-9-6-4-8;/h9H,3-6H2,1-2H3;1H
InChIKey
XBQFJZKMQOCQMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.14
TPSA
29.1
LogP / Solubility
WLOGP
1.39
MLOGP
1.22
XLogP3
1.39
Consensus LogP
1.33
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-2.82
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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