chempirical

5-[(4-Ethyl-1-piperazinyl)methyl]-2-pyridinamine

C12H20N4CAS 1180132-17-5220.32 g/mol

Open in Covalent MOL file
NNNHHN
Tertiary amine

Properties

Molecular formula
C12H20N4
Molar mass
220.32 g/mol
Exact mass
220.1688 Da
logP
0.63Crippen estimate
Polar surface area
46.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
1180132-17-5
SMILES
CCN1CCN(Cc2ccc(=N)[nH]c2)CC1
InChIKey
MNJBMPQTXVZMFZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H20N4/c1-2-15-5-7-16(8-6-15)10-11-3-4-12(13)14-9-11/h3-4,9H,2,5-8,10H2,1H3,(H2,13,14)

Weigh it out

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

Names and synonyms

4 names
  • 2-Pyridinamine, 5-[(4-ethyl-1-piperazinyl)methyl]-
  • [5-[(4-Ethylpiperazin-1-yl)methyl]pyridin-2-yl]amine
  • 5-[(4-Ethylpiperazin-1-yl)methyl]pyridin-2-amine
  • 5-((4-Ethylpiperazine-1-yl)methyl)pyridine-2-amine

Work with 5-[(4-Ethyl-1-piperazinyl)methyl]-2-pyridinamine

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

2-Amino-5-methylpyridine1603-41-438 % similar 1,4-Diethylpiperazine6483-50-735 % similar 6-[4-[(4-Ethyl-1-piperazinyl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-D]pyrimidin-4-amine497839-62-035 % similar 2-Amino-5-bromopyridine1072-97-534 % similar 2-Amino-5-chloropyridine1072-98-634 % similar 2-Amino-5-iodopyridine20511-12-034 % similar 2,5-Diaminopyridine4318-76-734 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-533 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook