CAS RN: 148054-89-1
(S)-α-(1-methylethyl)-1-Piperidineethanamine
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.20250612 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS148054-89-1
- Purity/Analytical Methods: >99.0%
148054-89-1 / (2S)-3-methyl-1-piperidin-1-ylbutan-2-amine
Basic Information
CAS
148054-89-1
Multi CAS
No
Molecular Formula
C10H22N2
Molecular Weight
170.300000
Exact Mass
170.178299
SMILES
CC(C)[C@@H](CN1CCCCC1)N
InChI
InChI=1S/C10H22N2/c1-9(2)10(11)8-12-6-4-3-5-7-12/h9-10H,3-8,11H2,1-2H3/t10-/m1/s1
InChIKey
AEBCFQAXYZSMIZ-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.1
TPSA
29.26
LogP / Solubility
WLOGP
1.46
MLOGP
1.28
XLogP3
1.6
Consensus LogP
1.45
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately 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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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