CAS RN: 126579-26-8
METHYL-PIPERIDIN-4-YLMETHYL-AMINE
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.20251218 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS126579-26-8
- Purity/Analytical Methods: >99.0%
126579-26-8 / N-methyl-1-piperidin-4-ylmethanamine
Basic Information
CAS
126579-26-8
Multi CAS
No
Molecular Formula
C7H16N2
Molecular Weight
128.220000
Exact Mass
128.131349
SMILES
CNCC1CCNCC1
InChI
InChI=1S/C7H16N2/c1-8-6-7-2-4-9-5-3-7/h7-9H,2-6H2,1H3
InChIKey
RNUCZCMDLWNCFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.52
TPSA
24.06
LogP / Solubility
WLOGP
0.21
MLOGP
0.17
XLogP3
0.1
Consensus LogP
0.16
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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