CAS RN: 1146080-72-9
1-(4-Chloro-phenyl)-2-(3-hydroxy-piperidin-1-yl)-ethanone, 98+% C13H16ClNO2, MW: 253.73
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.20260224 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1146080-72-9
- Purity/Analytical Methods: >99.0%
1146080-72-9 / 1-(4-chlorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
1-(4-Chloro-phenyl)-2-(3-hydroxy-piperidin-1-yl)-ethanone | 1-(4-Chlorophenyl)-2-(3-hydroxypiperidin-1-yl)ethan-1-one | 1-(4-chlorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
Basic Information
CAS
1146080-72-9
Multi CAS
No
Molecular Formula
C13H16ClNO2
Molecular Weight
253.720000
Exact Mass
253.086956
SMILES
C1CC(CN(C1)CC(=O)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C13H16ClNO2/c14-11-5-3-10(4-6-11)13(17)9-15-7-1-2-12(16)8-15/h3-6,12,16H,1-2,7-9H2
InChIKey
RZTWHDQPIJUDMG-UHFFFAOYSA-N
Synonyms
1-(4-Chloro-phenyl)-2-(3-hydroxy-piperidin-1-yl)-ethanone
1-(4-Chlorophenyl)-2-(3-hydroxypiperidin-1-yl)ethan-1-one
1-(4-chlorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
1-(4-chlorophenyl)-2-(3-hydroxypiperidyl)ethan-1-one
DTXSID40671374
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.46
TPSA
40.54
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
2.2
Consensus LogP
1.98
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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