CAS RN: 2102409-77-6
benzyl (3r)-3-hydroxy-3-methylpiperidine-1-carboxylate
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.20260326 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2102409-77-6
- Purity/Analytical Methods: >99.0%
2102409-77-6 / benzyl (3R)-3-hydroxy-3-methylpiperidine-1-carboxylate
Basic Information
CAS
2102409-77-6
Multi CAS
No
Molecular Formula
C14H19NO3
Molecular Weight
249.300000
Exact Mass
249.136493
SMILES
C[C@]1(CCCN(C1)C(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C14H19NO3/c1-14(17)8-5-9-15(11-14)13(16)18-10-12-6-3-2-4-7-12/h2-4,6-7,17H,5,8-11H2,1H3/t14-/m1/s1
InChIKey
MAKWYVSEDPFHGW-CQSZACIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.06
TPSA
49.77
LogP / Solubility
WLOGP
2.17
MLOGP
1.92
XLogP3
1.7
Consensus LogP
1.93
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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