CAS RN: 2253105-54-1
1-Piperidinecarboxylic acid, 4-amino-2-(hydroxymethyl)-, 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.20250620 | 25mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2253105-54-1
- Purity/Analytical Methods: >99.0%
2253105-54-1 / tert-butyl (2S,4S)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate
Basic Information
CAS
2253105-54-1
Multi CAS
No
Molecular Formula
C11H22N2O3
Molecular Weight
230.300000
Exact Mass
230.163043
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C[C@H]1CO)N
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-4-8(12)6-9(13)7-14/h8-9,14H,4-7,12H2,1-3H3/t8-,9-/m0/s1
InChIKey
WASPQYKCAGLHMM-IUCAKERBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.02
TPSA
75.79
LogP / Solubility
WLOGP
0.71
MLOGP
0.62
XLogP3
0.1
Consensus LogP
0.48
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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