CAS RN: 183207-64-9
Tert-butyl 3-(benzylamino)piperidine-1-carboxylate
- Product code: SSC-084763
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
183207-64-9 / tert-butyl 3-(benzylamino)piperidine-1-carboxylate
Basic Information
CAS
183207-64-9
Multi CAS
No
Molecular Formula
C17H26N2O2
Molecular Weight
290.400000
Exact Mass
290.199428
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)NCC2=CC=CC=C2
InChI
InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-7-10-15(13-19)18-12-14-8-5-4-6-9-14/h4-6,8-9,15,18H,7,10-13H2,1-3H3
InChIKey
PYOZLJFLGIAVOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.11
TPSA
41.57
LogP / Solubility
WLOGP
3.18
MLOGP
2.81
XLogP3
2.7
Consensus LogP
2.9
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly 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)
-2.24
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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