![CAS 1410204-92-0 [1-(3-Methoxy-4-nitro-phenyl)-piperidin-3-yl]-Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1410204-92-0.gif)
CAS RN: 1410204-92-0
[1-(3-Methoxy-4-nitro-phenyl)-piperidin-3-yl]-Methanol
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.20250420 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1410204-92-0
- Purity/Analytical Methods: >99.0%
1410204-92-0 / [1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]methanol
Basic Information
CAS
1410204-92-0
Multi CAS
No
Molecular Formula
C13H18N2O4
Molecular Weight
266.290000
Exact Mass
266.126657
SMILES
COC1=C(C=CC(=C1)N2CCCC(C2)CO)[N+](=O)[O-]
InChI
InChI=1S/C13H18N2O4/c1-19-13-7-11(4-5-12(13)15(17)18)14-6-2-3-10(8-14)9-16/h4-5,7,10,16H,2-3,6,8-9H2,1H3
InChIKey
KLZBHGIOBJSYKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
71.67
TPSA
75.84
LogP / Solubility
WLOGP
1.81
MLOGP
1.6
XLogP3
1.9
Consensus LogP
1.77
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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