CAS RN: 187679-58-9
Cis-tert-butyl 3-aMino-2-phenylpiperidine-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.20260501 | 100mg / 250mg / 1g | Out of stock | 2 business days | Inquiry |
- Product code: starshine_CAS187679-58-9
- Purity/Analytical Methods: >99.0%
187679-58-9 / tert-butyl (2S,3S)-3-amino-2-phenylpiperidine-1-carboxylate
Basic Information
CAS
187679-58-9
Multi CAS
No
Molecular Formula
C16H24N2O2
Molecular Weight
276.370000
Exact Mass
276.183778
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]1C2=CC=CC=C2)N
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-7-10-13(17)14(18)12-8-5-4-6-9-12/h4-6,8-9,13-14H,7,10-11,17H2,1-3H3/t13-,14-/m0/s1
InChIKey
GQOAORJRRSLOQA-KBPBESRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.33
TPSA
55.56
LogP / Solubility
WLOGP
3.09
MLOGP
2.72
XLogP3
2.3
Consensus LogP
2.7
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
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)
-2.21
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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