CAS RN: 3515-49-9
3-(4-Piperidylmethyl)-1H-indole
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.20260428 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS3515-49-9
- Purity/Analytical Methods: >99.0%
3515-49-9 / 3-(piperidin-4-ylmethyl)-1H-indole
Basic Information
CAS
3515-49-9
Multi CAS
No
Molecular Formula
C14H18N2
Molecular Weight
214.310000
Exact Mass
214.146999
InChI
InChI=1S/C14H18N2/c1-2-4-14-13(3-1)12(10-16-14)9-11-5-7-15-8-6-11/h1-4,10-11,15-16H,5-9H2
InChIKey
HKYWCJOLDLYIOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
67.6
TPSA
27.82
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
2.8
Consensus LogP
2.63
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
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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