CAS RN: 69414-53-5
Piperazine, 1-acetyl-, Monohydrochloride
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.20260531 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS69414-53-5
- Purity/Analytical Methods: >99.0%
69414-53-5 / 1-piperazin-1-ylethanone;hydrochloride
Basic Information
CAS
69414-53-5
Multi CAS
No
Molecular Formula
C6H13CLN2O
Molecular Weight
164.630000
Exact Mass
164.071641
InChI
InChI=1S/C6H12N2O.ClH/c1-6(9)8-4-2-7-3-5-8;/h7H,2-5H2,1H3;1H
InChIKey
WYMNYDJOXJJXCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.37
TPSA
32.34
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.13
XLogP3
-0.14
Consensus LogP
-0.14
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very 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)
-3.82
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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