CAS RN: 550371-76-1
4-(4-Pyridinyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250601 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS550371-76-1
- Purity/Analytical Methods: >99.0%
550371-76-1 / tert-butyl 4-pyridin-4-ylpiperidine-1-carboxylate
Basic Information
CAS
550371-76-1
Multi CAS
No
Molecular Formula
C15H22N2O2
Molecular Weight
262.350000
Exact Mass
262.168128
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12/h4-5,8-9,13H,6-7,10-11H2,1-3H3
InChIKey
GQOGIYJQPWKVED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
74.02
TPSA
42.43
LogP / Solubility
WLOGP
3.2
MLOGP
2.82
XLogP3
2.3
Consensus LogP
2.77
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.14
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)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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