![CAS 190446-85-6 1-PIPERIDINECARBOXYLIC ACID,4-[(HYDROXYIMINO)METHYL]-,1,1-DIMETHYLETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/190446-85-6.gif)
CAS RN: 190446-85-6
1-PIPERIDINECARBOXYLIC ACID,4-[(HYDROXYIMINO)METHYL]-,1,1-DIMETHYLETHYL ESTER
- Product code: SSC-089182
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 | Shenzhen | Inquiry |
190446-85-6 / tert-butyl 4-[(E)-hydroxyiminomethyl]piperidine-1-carboxylate
Basic Information
CAS
190446-85-6
Multi CAS
No
Molecular Formula
C11H20N2O3
Molecular Weight
228.290000
Exact Mass
228.147393
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)/C=N/O
InChI
InChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-6-4-9(5-7-13)8-12-15/h8-9,15H,4-7H2,1-3H3/b12-8+
InChIKey
JPPSCYURIXEGIG-XYOKQWHBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.81
TPSA
62.13
LogP / Solubility
WLOGP
2.09
MLOGP
1.85
XLogP3
1.3
Consensus LogP
1.75
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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