CAS RN: 1250996-04-3
Tert-Butyl 2,3-Bipiperidine-1-Carboxylate(WX170009)
- Product code: SSC-029627
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 | Hong Kong | Inquiry |
1250996-04-3 / tert-butyl 3-piperidin-2-ylpiperidine-1-carboxylate
Basic Information
CAS
1250996-04-3
Multi CAS
No
Molecular Formula
C15H28N2O2
Molecular Weight
268.390000
Exact Mass
268.215078
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C2CCCCN2
InChI
InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-10-6-7-12(11-17)13-8-4-5-9-16-13/h12-13,16H,4-11H2,1-3H3
InChIKey
AZHAFTKTFKUDGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.17
TPSA
41.57
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2.3
Consensus LogP
2.51
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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