![CAS 1353981-69-7 (3-AMinoMethyl-piperidin-1-yl)-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-Methanone hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82575168(1).gif)
CAS RN: 1353981-69-7
(3-AMinoMethyl-piperidin-1-yl)-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-Methanone hydrochloride
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250917 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353981-69-7
- Purity/Analytical Methods: >99.0%
1353981-69-7 / [3-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone;hydrochloride
Basic Information
CAS
1353981-69-7
Multi CAS
No
Molecular Formula
C15H21ClN2O3
Molecular Weight
312.790000
Exact Mass
312.124070
SMILES
C1CC(CN(C1)C(=O)C2COC3=CC=CC=C3O2)CN.Cl
InChI
InChI=1S/C15H20N2O3.ClH/c16-8-11-4-3-7-17(9-11)15(18)14-10-19-12-5-1-2-6-13(12)20-14;/h1-2,5-6,11,14H,3-4,7-10,16H2;1H
InChIKey
GVTGOCFHYJIEFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
81.96
TPSA
64.79
LogP / Solubility
WLOGP
1.45
MLOGP
1.29
XLogP3
1.45
Consensus LogP
1.4
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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![CAS 1353985-43-9 1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylMethyl)-piperidin-4-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92577952(1).gif)
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