CAS RN: 150018-99-8
1-Benzyl-3-hydroxypiperidine-3-carbonitrile
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.20250104 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS150018-99-8
- Purity/Analytical Methods: >99.0%
150018-99-8 / 1-benzyl-3-hydroxypiperidine-3-carbonitrile
Basic Information
CAS
150018-99-8
Multi CAS
No
Molecular Formula
C13H16N2O
Molecular Weight
216.280000
Exact Mass
216.126263
SMILES
C1CC(CN(C1)CC2=CC=CC=C2)(C#N)O
InChI
InChI=1S/C13H16N2O/c14-10-13(16)7-4-8-15(11-13)9-12-5-2-1-3-6-12/h1-3,5-6,16H,4,7-9,11H2
InChIKey
ZGGPVFSWIRIZNF-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
61.52
TPSA
47.26
LogP / Solubility
WLOGP
1.54
MLOGP
1.35
XLogP3
1.2
Consensus LogP
1.36
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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