CAS RN: 887588-18-3
3-(3-METHOXYPROPYLAMINO)PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL 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.20250825 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS887588-18-3
- Purity/Analytical Methods: >99.0%
887588-18-3 / tert-butyl 3-(3-methoxypropylamino)piperidine-1-carboxylate
Basic Information
CAS
887588-18-3
Multi CAS
No
Molecular Formula
C14H28N2O3
Molecular Weight
272.380000
Exact Mass
272.209993
InChI
InChI=1S/C14H28N2O3/c1-14(2,3)19-13(17)16-9-5-7-12(11-16)15-8-6-10-18-4/h12,15H,5-11H2,1-4H3
InChIKey
KHJCDCRTVMUJFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.32
TPSA
50.8
LogP / Solubility
WLOGP
2.01
MLOGP
1.78
XLogP3
1.4
Consensus LogP
1.73
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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