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CAS RN: 1353979-74-4
Methyl-(4-Methyl-benzyl)-piperidin-3-yl-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.20260327 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353979-74-4
- Purity/Analytical Methods: >99.0%
1353979-74-4 / N-methyl-N-[(4-methylphenyl)methyl]piperidin-3-amine;hydrochloride
Basic Information
CAS
1353979-74-4
Multi CAS
No
Molecular Formula
C14H23ClN2
Molecular Weight
254.800000
Exact Mass
254.154976
SMILES
CC1=CC=C(C=C1)CN(C)C2CCCNC2.Cl
InChI
InChI=1S/C14H22N2.ClH/c1-12-5-7-13(8-6-12)11-16(2)14-4-3-9-15-10-14;/h5-8,14-15H,3-4,9-11H2,1-2H3;1H
InChIKey
RBRZHVHYQVDUGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.79
TPSA
15.27
LogP / Solubility
WLOGP
2.6
MLOGP
2.3
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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![CAS 1353980-67-2 2,3-Dihydro-benzo[1,4]dioxine-5-carboxylic acid piperidin-4-ylaMide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52578623(1).gif)
![CAS 1353980-73-0 (4-AMino-piperidin-1-yl)-benzo[1,3]dioxol-5-yl-Methanone hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32575224(1).gif)
![CAS 1353980-87-6 (1R,4R)-2,3-Dihydro-benzo[1,4]dioxine-5-carboxylic acid (4-hydroxy-cyclohexyl)-aMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1353980-87-6.gif)
![CAS 1353981-69-7 (3-AMinoMethyl-piperidin-1-yl)-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-Methanone hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82575168(1).gif)