CAS RN: 1215788-48-9
1-(tert-butoxycarbonyl)-1,4-bipiperidine-4-methanol
- Product code: SSC-024120
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 |
1215788-48-9 / tert-butyl 4-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carboxylate
Basic Information
CAS
1215788-48-9
Multi CAS
No
Molecular Formula
C16H30N2O3
Molecular Weight
298.420000
Exact Mass
298.225643
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2CCC(CC2)CO
InChI
InChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-10-6-14(7-11-18)17-8-4-13(12-19)5-9-17/h13-14,19H,4-12H2,1-3H3
InChIKey
PXWJTWBTFUGALJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.94
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
82.21
TPSA
53.01
LogP / Solubility
WLOGP
2.09
MLOGP
1.85
XLogP3
1.8
Consensus LogP
1.91
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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