CAS RN: 1017606-58-4
TERT-BUTYL 4-(2-AMINOPROPYL)PIPERAZINE-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.20250726 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1017606-58-4
- Purity/Analytical Methods: >99.0%
1017606-58-4 / tert-butyl 4-[(2S)-2-aminopropyl]piperazine-1-carboxylate
1-Boc-4-(2-aminopropyl)piperazine | RefChem:430088 | 816-334-2
Basic Information
CAS
1017606-58-4
Multi CAS
Yes
Molecular Formula
C12H25N3O2
Molecular Weight
243.350000
Exact Mass
243.194677
SMILES
C[C@@H](CN1CCN(CC1)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C12H25N3O2/c1-10(13)9-14-5-7-15(8-6-14)11(16)17-12(2,3)4/h10H,5-9,13H2,1-4H3/t10-/m0/s1
InChIKey
YRSSUIZMGOJGOZ-JTQLQIEISA-N
Synonyms
1-Boc-4-(2-aminopropyl)piperazine
RefChem:430088
816-334-2
4-(2-Amino-propyl)-piperazine-1-carboxylic acid tert-butyl ester
TERT-BUTYL 4-(2-AMINOPROPYL)PIPERAZINE-1-CARBOXYLATE
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.9
TPSA
58.8
LogP / Solubility
WLOGP
0.89
MLOGP
0.79
XLogP3
0.4
Consensus LogP
0.69
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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