chempirical

1-(2-Imidazol-1-yl-ethyl)-piperazine

C9H16N4CAS 381721-55-7180.26 g/mol

Open in Covalent MOL file
NHNNN
Secondary amineTertiary amine

Properties

Molecular formula
C9H16N4
Molar mass
180.26 g/mol
Exact mass
180.1375 Da
logP
-0.21Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

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
381721-55-7
SMILES
C1CN(CCN1)CCN2C=CN=C2
InChIKey
WTDMCLGFEXQYOU-UHFFFAOYSA-N
InChI
InChI=1S/C9H16N4/c1-4-12(5-2-10-1)7-8-13-6-3-11-9-13/h3,6,9-10H,1-2,4-5,7-8H2

Weigh it out

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

Work with 1-(2-Imidazol-1-yl-ethyl)-piperazine

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

Imidazole-1-ethanol1615-14-145 % similar 1-Propylimidazole35203-44-245 % similar Butylimidazole4316-42-143 % similar 1H-Imidazole-1-propanamine5036-48-643 % similar 1-(2-Phenylethyl)-1H-imidazole49823-14-541 % similar 1-[2-(2,5-Dimethyl-1H-pyrrol-1-yl)ethyl]piperazine5059-36-939 % similar 1-Ethylimidazole7098-07-939 % similar 3-Imidazol-1-yl-propionic acid18999-45-638 % similar

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

Elsewhere

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