![CAS 2177263-19-1 1-Boc-4-[cis-2-aminocyclohexyl]piperazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2177263-19-1.png)
CAS RN: 2177263-19-1
1-Boc-4-[cis-2-aminocyclohexyl]piperazine
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.20250719 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2177263-19-1
- Purity/Analytical Methods: >99.0%
2177263-19-1 / tert-butyl 4-[(1S,2R)-2-aminocyclohexyl]piperazine-1-carboxylate
Basic Information
CAS
2177263-19-1
Multi CAS
No
Molecular Formula
C15H29N3O2
Molecular Weight
283.410000
Exact Mass
283.225977
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)[C@H]2CCCC[C@H]2N
InChI
InChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-7-5-4-6-12(13)16/h12-13H,4-11,16H2,1-3H3/t12-,13+/m1/s1
InChIKey
CTIHUAFFLVLLSJ-OLZOCXBDSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.61
TPSA
58.8
LogP / Solubility
WLOGP
1.81
MLOGP
1.6
XLogP3
1.3
Consensus LogP
1.57
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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