CAS RN: 688020-80-6
1-CBZ-4-(PIPERIDIN-4-YL)-PIPERAZINE
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.20250729 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS688020-80-6
- Purity/Analytical Methods: >99.0%
688020-80-6 / benzyl 4-piperidin-4-ylpiperazine-1-carboxylate
Basic Information
CAS
688020-80-6
Multi CAS
No
Molecular Formula
C17H25N3O2
Molecular Weight
303.400000
Exact Mass
303.194677
InChI
InChI=1S/C17H25N3O2/c21-17(22-14-15-4-2-1-3-5-15)20-12-10-19(11-13-20)16-6-8-18-9-7-16/h1-5,16,18H,6-14H2
InChIKey
VGACRFNIXBHAHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.66
TPSA
44.81
LogP / Solubility
WLOGP
1.69
MLOGP
1.5
XLogP3
1.6
Consensus LogP
1.6
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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