CAS RN: 1354486-07-9
(3S,4S)-1-benzyl-N,4-diMethylpiperidin-3-aMine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260505 | 50mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS1354486-07-9
- Purity/Analytical Methods: >99.0%
1354486-07-9 / (3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride
Basic Information
CAS
1354486-07-9
Multi CAS
No
Molecular Formula
C14H24Cl2N2
Molecular Weight
291.300000
Exact Mass
290.131654
SMILES
C[C@H]1CCN(C[C@H]1NC)CC2=CC=CC=C2.Cl.Cl
InChI
InChI=1S/C14H22N2.2ClH/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;;/h3-7,12,14-15H,8-11H2,1-2H3;2*1H/t12-,14+;;/m0../s1
InChIKey
CVQNXCBXFOIHLH-CIKMBUIBSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
82.84
TPSA
15.27
LogP / Solubility
WLOGP
2.96
MLOGP
2.62
XLogP3
2.96
Consensus LogP
2.85
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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