CAS RN: 887593-88-6
4-(4-HYDROXY-PIPERIDIN-1-YLMETHYL)-BENZONITRILE
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.20250910 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS887593-88-6
- Purity/Analytical Methods: >99.0%
887593-88-6 / 4-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile
Basic Information
CAS
887593-88-6
Multi CAS
No
Molecular Formula
C13H16N2O
Molecular Weight
216.280000
Exact Mass
216.126263
InChI
InChI=1S/C13H16N2O/c14-9-11-1-3-12(4-2-11)10-15-7-5-13(16)6-8-15/h1-4,13,16H,5-8,10H2
InChIKey
NYAOZPISCGYEAV-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
3
H-bond donors
1
Molar refractivity
61.67
TPSA
47.26
LogP / Solubility
WLOGP
1.51
MLOGP
1.34
XLogP3
1.3
Consensus LogP
1.38
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.96
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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