CAS RN: 1441161-43-8
2-(Aminomethyl)-1-piperazinecarboxylic acid 1,1-dimethylethyl ester
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.20250919 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1441161-43-8
- Purity/Analytical Methods: >99.0%
1441161-43-8 / tert-butyl 2-(aminomethyl)piperazine-1-carboxylate
Basic Information
CAS
1441161-43-8
Multi CAS
No
Molecular Formula
C10H21N3O2
Molecular Weight
215.290000
Exact Mass
215.163377
SMILES
CC(C)(C)OC(=O)N1CCNCC1CN
InChI
InChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-5-4-12-7-8(13)6-11/h8,12H,4-7,11H2,1-3H3
InChIKey
AZKGEYCZNWUTNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.65
TPSA
67.59
LogP / Solubility
WLOGP
0.15
MLOGP
0.14
XLogP3
-0.4
Consensus LogP
-0.04
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.44
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)
-3.92
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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