![CAS 1197333-44-0 5-[(4-methyl-1-piperazinyl)methyl]-2-Pyridinamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1197333-44-0.gif)
CAS RN: 1197333-44-0
5-[(4-methyl-1-piperazinyl)methyl]-2-Pyridinamine
- Product code: SSC-020475
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
1197333-44-0 / 5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine
5-((4-Methylpiperazin-1-yl)methyl)pyridin-2-amine | 5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine | MFCD16689298
Basic Information
CAS
1197333-44-0
Multi CAS
No
Molecular Formula
C11H18N4
Molecular Weight
206.290000
Exact Mass
206.153147
SMILES
CN1CCN(CC1)CC2=CN=C(C=C2)N
InChI
InChI=1S/C11H18N4/c1-14-4-6-15(7-5-14)9-10-2-3-11(12)13-8-10/h2-3,8H,4-7,9H2,1H3,(H2,12,13)
InChIKey
MMQCTXWUZNJUTF-UHFFFAOYSA-N
Synonyms
5-((4-Methylpiperazin-1-yl)methyl)pyridin-2-amine
5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine
MFCD16689298
2-Amino-5-[(4-methyl-1-piperazinyl)methyl]pyridine
5-[(4-methyl-1-piperazinyl)methyl]-2-Pyridinamine
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.42
TPSA
45.39
LogP / Solubility
WLOGP
0.41
MLOGP
0.36
XLogP3
0.2
Consensus LogP
0.32
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1197377-31-3 1-[2-Chloro-1-hydroxy-3-(6-quinolinyl)propyl]-2,5-pyrrolidinedione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1197377-31-3.gif)
