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CAS RN: 1353989-66-8
4-(4-Methyl-benzyloxyMethyl)-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.20251224 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1353989-66-8
- Purity/Analytical Methods: >99.0%
1353989-66-8 / 4-[(4-methylphenyl)methoxymethyl]piperidine;hydrochloride
Basic Information
CAS
1353989-66-8
Multi CAS
No
Molecular Formula
C14H22ClNO
Molecular Weight
255.780000
Exact Mass
255.138992
SMILES
CC1=CC=C(C=C1)COCC2CCNCC2.Cl
InChI
InChI=1S/C14H21NO.ClH/c1-12-2-4-13(5-3-12)10-16-11-14-6-8-15-9-7-14;/h2-5,14-15H,6-11H2,1H3;1H
InChIKey
XGIABEPDIQCOOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.68
TPSA
21.26
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
2.93
Consensus LogP
2.82
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly 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)
-2.2
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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