CAS RN: 686298-00-0
4-(Benzylpiperazine-4-yl)piperidine dihydrochloride
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.20260609 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS686298-00-0
- Purity/Analytical Methods: >99.0%
686298-00-0 / 1-benzyl-4-piperidin-4-ylpiperazine
Basic Information
CAS
686298-00-0
Multi CAS
Yes
Molecular Formula
C16H25N3
Molecular Weight
259.390000
Exact Mass
259.204848
InChI
InChI=1S/C16H25N3/c1-2-4-15(5-3-1)14-18-10-12-19(13-11-18)16-6-8-17-9-7-16/h1-5,16-17H,6-14H2
InChIKey
VJPZYEOANUCDTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.18
TPSA
18.51
LogP / Solubility
WLOGP
1.56
MLOGP
1.38
XLogP3
1.7
Consensus LogP
1.55
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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