CAS RN: 1609400-96-5
5-amino-1-methylpiperidin-2-one dihydrochloride
- Product code: SSC-068680
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1609400-96-5 / 5-amino-1-methylpiperidin-2-one;dihydrochloride
Basic Information
CAS
1609400-96-5
Multi CAS
No
Molecular Formula
C6H14Cl2N2O
Molecular Weight
201.090000
Exact Mass
200.048319
SMILES
CN1CC(CCC1=O)N.Cl.Cl
InChI
InChI=1S/C6H12N2O.2ClH/c1-8-4-5(7)2-3-6(8)9;;/h5H,2-4,7H2,1H3;2*1H
InChIKey
AEKSLRDYWGDCMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.34
TPSA
46.33
LogP / Solubility
WLOGP
0.41
MLOGP
0.36
XLogP3
0.41
Consensus LogP
0.39
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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