![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)
CAS RN: 1353985-43-9
1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylMethyl)-piperidin-4-ol
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250719 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS1353985-43-9
- Purity/Analytical Methods: >99.0%
1353985-43-9 / 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
Basic Information
CAS
1353985-43-9
Multi CAS
No
Molecular Formula
C14H19NO3
Molecular Weight
249.300000
Exact Mass
249.136493
SMILES
C1CN(CCC1O)CC2COC3=CC=CC=C3O2
InChI
InChI=1S/C14H19NO3/c16-11-5-7-15(8-6-11)9-12-10-17-13-3-1-2-4-14(13)18-12/h1-4,11-12,16H,5-10H2
InChIKey
MKCGRRDPNMPJCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.03
TPSA
41.93
LogP / Solubility
WLOGP
1.28
MLOGP
1.14
XLogP3
1.6
Consensus LogP
1.34
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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