![CAS 1303967-89-6 “Methyl-[1-(2-Methyl-benzyl)-piperidin-4-yl]-aMinehydrochloride” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02581369.gif)
CAS RN: 1303967-89-6
“Methyl-[1-(2-Methyl-benzyl)-piperidin-4-yl]-aMinehydrochloride”
- Product code: SSC-037008
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1303967-89-6 / N-methyl-1-[(2-methylphenyl)methyl]piperidin-4-amine;hydrochloride
Basic Information
CAS
1303967-89-6
Multi CAS
No
Molecular Formula
C14H23ClN2
Molecular Weight
254.800000
Exact Mass
254.154976
SMILES
CC1=CC=CC=C1CN2CCC(CC2)NC.Cl
InChI
InChI=1S/C14H22N2.ClH/c1-12-5-3-4-6-13(12)11-16-9-7-14(15-2)8-10-16;/h3-6,14-15H,7-11H2,1-2H3;1H
InChIKey
DFQCSEJYHQAQOW-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
1.5
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