CAS RN: 883194-93-2
4-(4-NITRO-PHENYL)-PIPERIDINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251103 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS883194-93-2
- Purity/Analytical Methods: >99.0%
883194-93-2 / 4-(4-nitrophenyl)piperidine;hydrochloride
Basic Information
CAS
883194-93-2
Multi CAS
No
Molecular Formula
C11H15CLN2O2
Molecular Weight
242.700000
Exact Mass
242.082205
InChI
InChI=1S/C11H14N2O2.ClH/c14-13(15)11-3-1-9(2-4-11)10-5-7-12-8-6-10;/h1-4,10,12H,5-8H2;1H
InChIKey
BGXQRDRUCGIGKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.19
TPSA
55.17
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
2.48
Consensus LogP
2.38
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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