CAS RN: 4072-75-7
1-(4-Vinylbenzyl)piperidine
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.20250911 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINV914258
4072-75-7 / 1-[(4-ethenylphenyl)methyl]piperidine
Basic Information
CAS
4072-75-7
Multi CAS
No
Molecular Formula
C14H19N
Molecular Weight
201.310000
Exact Mass
201.151750
InChI
InChI=1S/C14H19N/c1-2-13-6-8-14(9-7-13)12-15-10-4-3-5-11-15/h2,6-9H,1,3-5,10-12H2
InChIKey
LHYKNHIVFLHRLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
65.66
TPSA
3.24
LogP / Solubility
WLOGP
3.32
MLOGP
2.92
XLogP3
3.4
Consensus LogP
3.21
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly 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)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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