CAS RN: 1420857-49-3
“1-Boc-4-(1-AMino-3-hydroxypropyl)-1-piperidine”
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.20260606 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1420857-49-3
- Purity/Analytical Methods: >99.0%
1420857-49-3 / tert-butyl 4-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate
Basic Information
CAS
1420857-49-3
Multi CAS
No
Molecular Formula
C13H26N2O3
Molecular Weight
258.360000
Exact Mass
258.194343
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(CCO)N
InChI
InChI=1S/C13H26N2O3/c1-13(2,3)18-12(17)15-7-4-10(5-8-15)11(14)6-9-16/h10-11,16H,4-9,14H2,1-3H3
InChIKey
IWVVFOKZRXTWIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.21
TPSA
75.79
LogP / Solubility
WLOGP
1.34
MLOGP
1.19
XLogP3
0.7
Consensus LogP
1.08
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-3.34
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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