CAS RN: 1152110-26-3
Piperazine, 1,3-diMethyl-, hydrochloride (1:2), (3R)-
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: SSC-014891
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1152110-26-3 / (3R)-1,3-dimethylpiperazine;dihydrochloride
1,3-dimethylpiperazine dihydrochloride | 1,3-Dimethyl-piperazine dihydrochloride | Piperazine, 1,3-dimethyl-, hydrochloride (1:2)
Basic Information
CAS
1152110-26-3
Multi CAS
Yes
Molecular Formula
C6H16Cl2N2
Molecular Weight
187.110000
Exact Mass
186.069054
SMILES
C[C@@H]1CN(CCN1)C.Cl.Cl
InChI
InChI=1S/C6H14N2.2ClH/c1-6-5-8(2)4-3-7-6;;/h6-7H,3-5H2,1-2H3;2*1H/t6-;;/m1../s1
InChIKey
ADCWAVJWPWKDRK-QYCVXMPOSA-N
Synonyms
1,3-dimethylpiperazine dihydrochloride
1,3-Dimethyl-piperazine dihydrochloride
Piperazine, 1,3-dimethyl-, hydrochloride (1:2)
MFCD15474957
1,3-dimethylpiperazine;dihydrochloride
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.46
TPSA
15.27
LogP / Solubility
WLOGP
0.75
MLOGP
0.66
XLogP3
0.75
Consensus LogP
0.72
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
Class (SILICOS-IT)
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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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