CAS RN: 1217710-12-7
(S)-1-Boc-3-(Cyanomethyl)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.20251116 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1217710-12-7
- Purity/Analytical Methods: >99.0%
1217710-12-7 / tert-butyl (3S)-3-(cyanomethyl)piperidine-1-carboxylate
Basic Information
CAS
1217710-12-7
Multi CAS
No
Molecular Formula
C12H20N2O2
Molecular Weight
224.300000
Exact Mass
224.152478
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)CC#N
InChI
InChI=1S/C12H20N2O2/c1-12(2,3)16-11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-6,8-9H2,1-3H3/t10-/m0/s1
InChIKey
RWAQULYYWNUYFH-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
60.76
TPSA
53.33
LogP / Solubility
WLOGP
2.55
MLOGP
2.24
XLogP3
1.5
Consensus LogP
2.1
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
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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