![CAS 219832-76-5 4-Piperidineacetic acid, .alpha.-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/219832-76-5.gif)
CAS RN: 219832-76-5
4-Piperidineacetic acid, .alpha.-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
- Product code: SSC-105743
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
219832-76-5 / methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-4-ylacetate
Basic Information
CAS
219832-76-5
Multi CAS
No
Molecular Formula
C13H24N2O4
Molecular Weight
272.340000
Exact Mass
272.173607
SMILES
CC(C)(C)OC(=O)NC(C1CCNCC1)C(=O)OC
InChI
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-10(11(16)18-4)9-5-7-14-8-6-9/h9-10,14H,5-8H2,1-4H3,(H,15,17)
InChIKey
YMRAMAYADDQJIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
70.77
TPSA
76.66
LogP / Solubility
WLOGP
1.05
MLOGP
0.93
XLogP3
1.2
Consensus LogP
1.06
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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