CAS RN: 1152367-85-5
(2S,5R)-1,2,5-triMethylpiperazine
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.20250829 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1152367-85-5
- Purity/Analytical Methods: >99.0%
1152367-85-5 / (2S,5R)-1,2,5-trimethylpiperazine
1,2,5-trimethylpiperazine | Piperazine, 1,2,5-trimethyl- | 1,2,5-Trimethyl-piperazine
Basic Information
CAS
1152367-85-5
Multi CAS
Yes
Molecular Formula
C7H16N2
Molecular Weight
128.220000
Exact Mass
128.131349
SMILES
C[C@H]1CN[C@@H](CN1C)C
InChI
InChI=1S/C7H16N2/c1-6-5-9(3)7(2)4-8-6/h6-8H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKey
CDHYSFKPWCVXHZ-RQJHMYQMSA-N
Synonyms
1,2,5-trimethylpiperazine
Piperazine, 1,2,5-trimethyl-
1,2,5-Trimethyl-piperazine
cis-1,2,5-Trimethylpiperazine
SCHEMBL1190411
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.56
TPSA
15.27
LogP / Solubility
WLOGP
0.3
MLOGP
0.25
XLogP3
0.5
Consensus LogP
0.35
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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