![CAS 1281025-81-7 (4-AMino-piperidin-1-yl)-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-Methanone hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72575222.gif)
CAS RN: 1281025-81-7
(4-AMino-piperidin-1-yl)-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-Methanone hydrochloride
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.20260104 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1281025-81-7
- Purity/Analytical Methods: >99.0%
1281025-81-7 / (4-aminopiperidin-1-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone;hydrochloride
Basic Information
CAS
1281025-81-7
Multi CAS
No
Molecular Formula
C14H19ClN2O3
Molecular Weight
298.760000
Exact Mass
298.108420
SMILES
C1CN(CCC1N)C(=O)C2COC3=CC=CC=C3O2.Cl
InChI
InChI=1S/C14H18N2O3.ClH/c15-10-5-7-16(8-6-10)14(17)13-9-18-11-3-1-2-4-12(11)19-13;/h1-4,10,13H,5-9,15H2;1H
InChIKey
BYDCDMVYQLUEKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.39
TPSA
64.79
LogP / Solubility
WLOGP
1.2
MLOGP
1.07
XLogP3
1.2
Consensus LogP
1.16
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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