CAS RN: 1261231-94-0
(3-Fluoro-benzyl)-methyl-piperidin-4-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.20260318 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1261231-94-0
- Purity/Analytical Methods: >99.0%
1261231-94-0 / N-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
Basic Information
CAS
1261231-94-0
Multi CAS
No
Molecular Formula
C13H20ClFN2
Molecular Weight
258.760000
Exact Mass
258.129905
SMILES
CN(CC1=CC(=CC=C1)F)C2CCNCC2.Cl
InChI
InChI=1S/C13H19FN2.ClH/c1-16(13-5-7-15-8-6-13)10-11-3-2-4-12(14)9-11;/h2-4,9,13,15H,5-8,10H2,1H3;1H
InChIKey
CCMRQUMIUXQMMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.01
TPSA
15.27
LogP / Solubility
WLOGP
2.43
MLOGP
2.15
XLogP3
2.43
Consensus LogP
2.34
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-2.57
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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