CAS RN: 179480-58-1
3-(3-METHOXY-BENZYL)-PIPERIDINE 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.20260321 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-079942
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.1g, 0.25g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
179480-58-1 / 3-[(3-methoxyphenyl)methyl]piperidine;hydrochloride
Basic Information
CAS
179480-58-1
Multi CAS
No
Molecular Formula
C13H20ClNO
Molecular Weight
241.760000
Exact Mass
241.123342
SMILES
COC1=CC=CC(=C1)CC2CCCNC2.Cl
InChI
InChI=1S/C13H19NO.ClH/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12;/h2,4,6,9,12,14H,3,5,7-8,10H2,1H3;1H
InChIKey
YYQAQRNCIJUOLX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.54
TPSA
21.26
LogP / Solubility
WLOGP
2.66
MLOGP
2.35
XLogP3
2.66
Consensus LogP
2.56
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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