CAS RN: 1208089-44-4
1-Methyl-4-(4-methylpiperidin-4-yl)piperazine trihydrochloride
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.20260110 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1208089-44-4
- Purity/Analytical Methods: >99.0%
1208089-44-4 / 1-methyl-4-(4-methylpiperidin-4-yl)piperazine;trihydrochloride
1-Methyl-4-(4-methylpiperidin-4-yl)piperazine trihydrochloride | C11H26Cl3N3 | MFCD09753042
Basic Information
CAS
1208089-44-4
Multi CAS
No
Molecular Formula
C11H26Cl3N3
Molecular Weight
306.700000
Exact Mass
305.119231
SMILES
CC1(CCNCC1)N2CCN(CC2)C.Cl.Cl.Cl
InChI
InChI=1S/C11H23N3.3ClH/c1-11(3-5-12-6-4-11)14-9-7-13(2)8-10-14;;;/h12H,3-10H2,1-2H3;3*1H
InChIKey
CZXXPXBSIHHBRX-UHFFFAOYSA-N
Synonyms
1-Methyl-4-(4-methylpiperidin-4-yl)piperazine trihydrochloride
C11H26Cl3N3
MFCD09753042
1-methyl-4-(4-methylpiperidin-4-yl)piperazine;trihydrochloride
1-Methyl-4-(4-methylpiperidin-4-yl)piperazine 3HCl
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.32
TPSA
18.51
LogP / Solubility
WLOGP
1.64
MLOGP
1.46
XLogP3
1.64
Consensus LogP
1.58
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-3.43
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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