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CAS RN: 1353945-93-3
(4-Methoxy-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.20250204 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353945-93-3
- Purity/Analytical Methods: >99.0%
1353945-93-3 / N-[(4-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
Basic Information
CAS
1353945-93-3
Multi CAS
No
Molecular Formula
C13H21ClN2O
Molecular Weight
256.770000
Exact Mass
256.134241
SMILES
COC1=CC=C(C=C1)CNC2CCCNC2.Cl
InChI
InChI=1S/C13H20N2O.ClH/c1-16-13-6-4-11(5-7-13)9-15-12-3-2-8-14-10-12;/h4-7,12,14-15H,2-3,8-10H2,1H3;1H
InChIKey
ALDVNKHDYVRPNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.97
TPSA
33.29
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
1.96
Consensus LogP
1.88
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-2.9
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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