CAS RN: 2244085-33-2
Benzamide, 4-(4-piperidinyl)-, hydrochloride (1:1)
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.20250220 | 2g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2244085-33-2
- Purity/Analytical Methods: >99.0%
2244085-33-2 / 4-piperidin-4-ylbenzamide;hydrochloride
Basic Information
CAS
2244085-33-2
Multi CAS
No
Molecular Formula
C12H17ClN2O
Molecular Weight
240.730000
Exact Mass
240.102941
SMILES
C1CNCCC1C2=CC=C(C=C2)C(=O)N.Cl
InChI
InChI=1S/C12H16N2O.ClH/c13-12(15)11-3-1-9(2-4-11)10-5-7-14-8-6-10;/h1-4,10,14H,5-8H2,(H2,13,15);1H
InChIKey
LSVVLKJBDPPCFC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.05
TPSA
55.12
LogP / Solubility
WLOGP
1.67
MLOGP
1.48
XLogP3
1.67
Consensus LogP
1.61
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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
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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