CAS RN: 126503-04-6
1-Piperidinecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250126 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 3-5 business days | Inquiry |
- Product code: starshine_CAS126503-04-6
- Purity/Analytical Methods: >99.0%
126503-04-6 / tert-butyl 2-methylpiperidine-1-carboxylate
Basic Information
CAS
126503-04-6
Multi CAS
No
Molecular Formula
C11H21NO2
Molecular Weight
199.290000
Exact Mass
199.157229
SMILES
CC1CCCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO2/c1-9-7-5-6-8-12(9)10(13)14-11(2,3)4/h9H,5-8H2,1-4H3
InChIKey
DHJKRRZIUOQEFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
56.25
TPSA
29.54
LogP / Solubility
WLOGP
2.8
MLOGP
2.46
XLogP3
2.4
Consensus LogP
2.55
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-1.95
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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