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CAS 118511-81-2 1-PIPERIDIN-4-YL-1H-INDOLE molecular structure lightbox
CAS RN: 118511-81-2

1-PIPERIDIN-4-YL-1H-INDOLE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250913 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS118511-81-2
  • Purity/Analytical Methods: >99.0%
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118511-81-2 / 1-piperidin-4-ylindole

1-(Piperidin-4-yl)-1H-indole | 1-piperidin-4-ylindole | 1-piperidin-4-yl-1H-indole

Standard CAS: 118511-81-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118511-81-2
Multi CAS
Yes
Molecular Formula
C13H16N2
Molecular Weight
200.280000
Exact Mass
200.131349
SMILES
C1CNCCC1N2C=CC3=CC=CC=C32
InChI
InChI=1S/C13H16N2/c1-2-4-13-11(3-1)7-10-15(13)12-5-8-14-9-6-12/h1-4,7,10,12,14H,5-6,8-9H2
InChIKey
RQEDXUKWSYJDPG-UHFFFAOYSA-N
Synonyms
1-(Piperidin-4-yl)-1H-indole 1-piperidin-4-ylindole 1-piperidin-4-yl-1H-indole 1-(4-piperidinyl)-1H-indole MFCD07364487

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.08
TPSA
16.96

LogP / Solubility

WLOGP
2.57
MLOGP
2.26
XLogP3
2.7
Consensus LogP
2.51
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-2.12

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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