CAS RN: 333987-04-5
4-(4-CYANOBENZYL) PIPERIDINE HCL
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250211 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS333987-04-5
- Purity/Analytical Methods: >99.0%
333987-04-5 / 4-(piperidin-4-ylmethyl)benzonitrile;hydrochloride
Basic Information
CAS
333987-04-5
Multi CAS
No
Molecular Formula
C13H17CLN2
Molecular Weight
236.740000
Exact Mass
236.108026
InChI
InChI=1S/C13H16N2.ClH/c14-10-13-3-1-11(2-4-13)9-12-5-7-15-8-6-12;/h1-4,12,15H,5-9H2;1H
InChIKey
FRVVADSLOPUQJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.7
TPSA
35.82
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
2.52
Consensus LogP
2.42
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.37
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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