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CAS 4695-73-2 3-PIPERIDIN-2-YL-1H-INDOLE molecular structure lightbox
CAS RN: 4695-73-2

3-PIPERIDIN-2-YL-1H-INDOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250606 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4695-73-2
  • Purity/Analytical Methods: >99.0%
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4695-73-2 / 3-piperidin-2-yl-1H-indole

Standard CAS: 4695-73-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4695-73-2
Multi CAS
Yes
Molecular Formula
C13H16N2
Molecular Weight
200.280000
Exact Mass
200.131349
InChI
InChI=1S/C13H16N2/c1-2-6-12-10(5-1)11(9-15-12)13-7-3-4-8-14-13/h1-2,5-6,9,13-15H,3-4,7-8H2
InChIKey
ZAOROLLUGHLEDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
62.89
TPSA
27.82

LogP / Solubility

WLOGP
2.98
MLOGP
2.62
XLogP3
2.3
Consensus LogP
2.63
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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