4-(1-Piperazinyl)-1H-indole

C12H15N3CAS 84807-09-0201.27 g/mol

Open in Covalent MOL file
NHNNH
Secondary amineTertiary amine

Properties

Molecular formula
C12H15N3
Molar mass
201.27 g/mol
Exact mass
201.1266 Da
logP
1.58Crippen estimate
Polar surface area
31.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
84807-09-0
SMILES
c1cc(N2CCNCC2)c2cc[nH]c2c1
InChIKey
YZKSXUIOKWQABW-UHFFFAOYSA-N
InChI
InChI=1S/C12H15N3/c1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1H-Indole, 4-(1-piperazinyl)-
  • 1-(4-Indolyl)piperazine
  • 1-(1H-Indol-4-yl)piperazine
  • 4-(Piperazin-1-yl)-1H-indole
  • 4-(Piperazino)indole

Work with 4-(1-Piperazinyl)-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

1-(1-Naphthyl)piperazine57536-86-456 % similar 1-(2-Fluorophenyl)piperazine1011-15-049 % similar 1-(2-Chlorophenyl)piperazine39512-50-049 % similar 1-(1-Benzothiophen-4-yl)piperazine hydrochloride913614-18-347 % similar 2,3-Dichlorophenylpiperazine41202-77-146 % similar 1-(2-Bromophenyl)piperazine1011-13-846 % similar 1-(2-Fluorophenyl)piperazine hydrochloride1011-16-145 % similar 1-(2,3-Dimethylphenyl)piperazine1013-22-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Piperidinyl)-1H-benzimidazole38385-95-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook