Rel-(2R,6S)-2,6-dimethylpiperazine

C₆H₁₄N₂CAS 21655-48-1114.19 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₆H₁₄N₂
Molar mass: 114.19 g/mol
Exact mass: 114.1157 Da
Melting point: 115–116 °C
logP: -0.04Crippen estimate
Polar surface area: 24.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

21655-48-1

SMILES

C[C@@H]1CNC[C@H](C)N1

InChIKey

IFNWESYYDINUHV-OLQVQODUNA-N

InChI

InChI=1/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3/t5-,6+

Weigh it out

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

Names and synonyms

4 names

Piperazine, 2,6-dimethyl-, (2R,6S)-rel-
Piperazine, 2,6-dimethyl-, cis-
cis-2,6-Dimethylpiperazine
cis-3,5-Dimethylpiperazine

Work with Rel-(2R,6S)-2,6-dimethylpiperazine

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-Methylpiperazine109-07-948 % similar 2,6-Dimethylpiperidine504-03-047 % similar N-(1-Methylpropyl)-2-butanamine626-23-347 % similar Rel-(2R,6S)-2,6-dimethylpiperidine766-17-647 % similar Diisobutylamine110-96-344 % similar Propyleneimine75-55-844 % similar 3,5-Dimethylpiperidine35794-11-740 % similar Diisopropanolamine110-97-438 % similar

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

Same formula

2,5-Dimethylpiperazine106-55-8 1,4-Dimethylpiperazine106-58-1 2,6-Dimethylpiperazine108-49-6 trans-1,2-Diaminocyclohexane1121-22-8 1-Methyl-3-pyrrolidinemethanamine13005-11-3 (3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-4 (3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-6 2-Ethylpiperazine13961-37-0

Elsewhere

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