chempirical

3-(4-Piperidinyl)-1H-indole

C13H16N2CAS 17403-09-7200.28 g/mol

Open in Covalent MOL file
NHHN
Secondary amine

Properties

Molecular formula
C13H16N2
Molar mass
200.28 g/mol
Exact mass
200.1313 Da
Melting point
222–224 °C
logP
2.63Crippen estimate
Polar surface area
27.8 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
17403-09-7
SMILES
c1ccc2c(C3CCNCC3)c[nH]c2c1
InChIKey
KAIRZPVWWIMPFT-UHFFFAOYSA-N
InChI
InChI=1S/C13H16N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-4,9-10,14-15H,5-8H2

Weigh it out

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Names and synonyms

8 names
  • 1H-Indole, 3-(4-piperidinyl)-
  • Indole, 3-(4-piperidyl)-
  • 3-(4-Piperidyl)indole
  • 4-(1H-Indol-3-yl)piperidine
  • RU 22424
  • 4-(3-Indolyl)piperidine
  • 3-(Piperidin-4-yl)indole
  • 3-(4-Piperidyl)-1H-indole

Work with 3-(4-Piperidinyl)-1H-indole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Phenylpiperidine771-99-344 % similar 2-(4-Piperidinyl)-1H-benzimidazole38385-95-444 % similar 3-(Piperidin-4-yl)quinolin-2(1H)-one hydrochloride855778-84-643 % similar 3,3′-Diindolylmethane1968-05-443 % similar Methyltryptamine61-49-443 % similar 4-Phenylpiperidine hydrochloride10272-49-841 % similar Indole-3-acetaldehyde2591-98-240 % similar Indole-3-propanol3569-21-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Medetomidine106807-72-1 Dexmedetomidine113775-47-6 5-(2-Methylpropyl)-1-phenyl-1H-pyrazole3191-86-4 (+-)-Tetrahydrozoline84-22-0 Medetomidine86347-14-0

Elsewhere

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