CAS RN: 333795-12-3
4-(4-PIPERIDINYLMETHYL)BENZAMIDE
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.20251211 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS333795-12-3
- Purity/Analytical Methods: >99.0%
333795-12-3 / 4-(piperidin-4-ylmethyl)benzamide
Basic Information
CAS
333795-12-3
Multi CAS
No
Molecular Formula
C13H18N2O
Molecular Weight
218.290000
Exact Mass
218.141913
InChI
InChI=1S/C13H18N2O/c14-13(16)12-3-1-10(2-4-12)9-11-5-7-15-8-6-11/h1-4,11,15H,5-9H2,(H2,14,16)
InChIKey
OIYNIIJKRNGHJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.26
TPSA
55.12
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
1.4
Consensus LogP
1.3
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately 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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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