CAS RN: 1349699-81-5
(R)-tert-Butyl 3-(oxetan-3-ylamino)piperidine-1-carboxylate
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.20260601 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1349699-81-5
- Purity/Analytical Methods: >99.0%
1349699-81-5 / tert-butyl (3R)-3-(oxetan-3-ylamino)piperidine-1-carboxylate
Basic Information
CAS
1349699-81-5
Multi CAS
No
Molecular Formula
C13H24N2O3
Molecular Weight
256.340000
Exact Mass
256.178693
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)NC2COC2
InChI
InChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15-6-4-5-10(7-15)14-11-8-17-9-11/h10-11,14H,4-9H2,1-3H3/t10-/m1/s1
InChIKey
MVRZYWPCHJFVKP-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.57
TPSA
50.8
LogP / Solubility
WLOGP
1.37
MLOGP
1.22
XLogP3
0.9
Consensus LogP
1.16
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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