CAS RN: 174543-80-7
(3R)-Amino-3-methyl-piperidine-1-carboxylic acid benzyl 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.20250627 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS174543-80-7
- Purity/Analytical Methods: >99.0%
174543-80-7 / benzyl 3-amino-3-methylpiperidine-1-carboxylate
Basic Information
CAS
174543-80-7
Multi CAS
No
Molecular Formula
C14H20N2O2
Molecular Weight
248.320000
Exact Mass
248.152478
SMILES
CC1(CCCN(C1)C(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C14H20N2O2/c1-14(15)8-5-9-16(11-14)13(17)18-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,15H2,1H3
InChIKey
OZEVNWHCQACRDD-UHFFFAOYSA-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
70.03
TPSA
55.56
LogP / Solubility
WLOGP
2.14
MLOGP
1.89
XLogP3
1.4
Consensus LogP
1.81
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-2.72
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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