CAS RN: 1788044-00-7
6-(Aminomethyl)-1-methylpiperidin-2-one hydrochloride
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.20260428 | 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1788044-00-7
- Purity/Analytical Methods: >99.0%
1788044-00-7 / 6-(aminomethyl)-1-methylpiperidin-2-one;hydrochloride
Basic Information
CAS
1788044-00-7
Multi CAS
No
Molecular Formula
C7H15ClN2O
Molecular Weight
178.660000
Exact Mass
178.087291
SMILES
CN1C(CCCC1=O)CN.Cl
InChI
InChI=1S/C7H14N2O.ClH/c1-9-6(5-8)3-2-4-7(9)10;/h6H,2-5,8H2,1H3;1H
InChIKey
IGUDPDKDLQNLEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.71
TPSA
46.33
LogP / Solubility
WLOGP
0.38
MLOGP
0.33
XLogP3
0.38
Consensus LogP
0.36
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
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)
-3.54
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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