![CAS 1217710-80-9 3-[[(tert-Butoxy)carbonyl]amino]-1-piperidinecarboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1217710-80-9.gif)
CAS RN: 1217710-80-9
3-[[(tert-Butoxy)carbonyl]amino]-1-piperidinecarboxylic acid tert-butyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260325 | 1g / 5g / 10g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1217710-80-9
- Purity/Analytical Methods: >99.0%
1217710-80-9 / tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
Basic Information
CAS
1217710-80-9
Multi CAS
No
Molecular Formula
C15H28N2O4
Molecular Weight
300.390000
Exact Mass
300.204907
SMILES
CC(C)(C)OC(=O)NC1CCCN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H28N2O4/c1-14(2,3)20-12(18)16-11-8-7-9-17(10-11)13(19)21-15(4,5)6/h11H,7-10H2,1-6H3,(H,16,18)/t11-/m0/s1
InChIKey
IPDHHWCHJZHKMH-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.2
TPSA
67.87
LogP / Solubility
WLOGP
2.91
MLOGP
2.57
XLogP3
2.4
Consensus LogP
2.63
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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