![CAS 1353980-73-0 (4-AMino-piperidin-1-yl)-benzo[1,3]dioxol-5-yl-Methanone hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32575224(1).gif)
CAS RN: 1353980-73-0
(4-AMino-piperidin-1-yl)-benzo[1,3]dioxol-5-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.20250608 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353980-73-0
- Purity/Analytical Methods: >99.0%
1353980-73-0 / (4-aminopiperidin-1-yl)-(1,3-benzodioxol-5-yl)methanone;hydrochloride
Basic Information
CAS
1353980-73-0
Multi CAS
No
Molecular Formula
C13H17ClN2O3
Molecular Weight
284.740000
Exact Mass
284.092770
SMILES
C1CN(CCC1N)C(=O)C2=CC3=C(C=C2)OCO3.Cl
InChI
InChI=1S/C13H16N2O3.ClH/c14-10-3-5-15(6-4-10)13(16)9-1-2-11-12(7-9)18-8-17-11;/h1-2,7,10H,3-6,8,14H2;1H
InChIKey
CKQJUKXWKPGZDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72.93
TPSA
64.79
LogP / Solubility
WLOGP
1.4
MLOGP
1.24
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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