CAS RN: 2703752-19-4
1-benzyl-4,6-dimethylpiperidin-3-amine hydrochloride
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.20260215 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2703752-19-4
- Purity/Analytical Methods: >99.0%
2703752-19-4 / 1-benzyl-4,6-dimethylpiperidin-3-amine;hydrochloride
Basic Information
CAS
2703752-19-4
Multi CAS
No
Molecular Formula
C14H23ClN2
Molecular Weight
254.800000
Exact Mass
254.154976
SMILES
CC1CC(N(CC1N)CC2=CC=CC=C2)C.Cl
InChI
InChI=1S/C14H22N2.ClH/c1-11-8-12(2)16(10-14(11)15)9-13-6-4-3-5-7-13;/h3-7,11-12,14H,8-10,15H2,1-2H3;1H
InChIKey
NPSHJLFVWBIQTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.32
TPSA
29.26
LogP / Solubility
WLOGP
2.67
MLOGP
2.35
XLogP3
2.67
Consensus LogP
2.56
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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