CAS RN: 190964-91-1
tert-butyl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250624 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS190964-91-1
- Purity/Analytical Methods: >99.0%
190964-91-1 / tert-butyl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate
Basic Information
CAS
190964-91-1
Multi CAS
No
Molecular Formula
C15H29N3O2
Molecular Weight
283.410000
Exact Mass
283.225977
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2CCN(CC2)C
InChI
InChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-7-5-13(6-8-18)17-11-9-16(4)10-12-17/h13H,5-12H2,1-4H3
InChIKey
PUGUVPMTGGMMAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
79.9
TPSA
36.02
LogP / Solubility
WLOGP
1.63
MLOGP
1.45
XLogP3
1.5
Consensus LogP
1.53
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.98
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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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