(R)-2-Piperazinecarboxylic acid dihydrochloride

C5H12Cl2N2O2CAS 126330-90-3203.06 g/mol

Open in Covalent MOL file
HClHClOHONHHN
Carboxylic acidSecondary amine

Properties

Molecular formula
C5H12Cl2N2O2
Molar mass
203.06 g/mol
Exact mass
202.0276 Da
Melting point
238–243 °C (decomposes)
logP
-0.52Crippen estimate
Polar surface area
61.4 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
126330-90-3
SMILES
Cl.Cl.O=C(O)[C@H]1CNCCN1
InChIKey
WNSDZBQLMGKPQS-RZFWHQLPSA-N
InChI
InChI=1S/C5H10N2O2.2ClH/c8-5(9)4-3-6-1-2-7-4;;/h4,6-7H,1-3H2,(H,8,9);2*1H/t4-;;/m1../s1

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Names and synonyms

5 names
  • 2-Piperazinecarboxylic acid, hydrochloride (1:2), (2R)-
  • 2-Piperazinecarboxylic acid, dihydrochloride, (R)-
  • 2-Piperazinecarboxylic acid, dihydrochloride, (2R)-
  • (2R)-Piperazine-2-carboxylic acid dihydrochloride
  • (R)-Piperazine-2-carboxylic acid dihydrochloride

Work with (R)-2-Piperazinecarboxylic acid dihydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-Piperazine-2-carboxylic acid147650-70-2Free base, enantiomer (R)-Piperazine-2-carboxylic acid31321-68-3Free base (2S)-Piperazine-2-carboxylic acid dihydrochloride158663-69-5Enantiomer Piperazine-2-carboxylic acid dihydrochloride3022-15-9Stereo not defined

Similar compounds

Azetidine-2-carboxylic acid2133-34-853 % similar (±)-2-Azetidinecarboxylic acid2517-04-653 % similar D-Azetidine-2-carboxylic acid7729-30-853 % similar (2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride142347-81-753 % similar (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride77449-94-653 % similar Ethylenediamine-N,N'-disuccinic acid20846-91-752 % similar Proline147-85-350 % similar D-Proline344-25-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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