(2S)-piperazine-2-carboxylic acid;dihydrochloride

C5H12Cl2N2O2 — CID 2734260

IUPAC(2S)-piperazine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)[C@@H]1CNCCN1
InChIInChI=1S/C5H10N2O2.2ClH/c8-5(9)4-3-6-1-2-7-4;;/h4,6-7H,1-3H2,(H,8,9);2*1H/t4-;;/m0../s1
InChIKeyWNSDZBQLMGKPQS-FHNDMYTFSA-N
MW203.07 g/mol
LogP-0.52
Rot. Bonds1

About (2S)-piperazine-2-carboxylic acid;dihydrochloride

(2S)-piperazine-2-carboxylic acid;dihydrochloride (PubChem CID 2734260) has the molecular formula C5H12Cl2N2O2 and a molecular weight of 203.07 g/mol. Its IUPAC name is (2S)-piperazine-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name(2S)-piperazine-2-carboxylic acid;dihydrochloride
PubChem CID2734260
Molecular FormulaC5H12Cl2N2O2
Molecular Weight203.07 g/mol
Exact Mass202.03
IUPAC Name(2S)-piperazine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)[C@@H]1CNCCN1
InChIInChI=1S/C5H10N2O2.2ClH/c8-5(9)4-3-6-1-2-7-4;;/h4,6-7H,1-3H2,(H,8,9);2*1H/t4-;;/m0../s1
InChIKeyWNSDZBQLMGKPQS-FHNDMYTFSA-N
XLogP-0.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-piperazine-2-carboxylic acid;dihydrochloride?
The IUPAC name of (2S)-piperazine-2-carboxylic acid;dihydrochloride (CID 2734260) is (2S)-piperazine-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for (2S)-piperazine-2-carboxylic acid;dihydrochloride?
The canonical SMILES for (2S)-piperazine-2-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)[C@@H]1CNCCN1.
What is the InChIKey of (2S)-piperazine-2-carboxylic acid;dihydrochloride?
The InChIKey is WNSDZBQLMGKPQS-FHNDMYTFSA-N. The full InChI is 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-;;/m0../s1.
What are the key properties of (2S)-piperazine-2-carboxylic acid;dihydrochloride?
(2S)-piperazine-2-carboxylic acid;dihydrochloride has a molecular weight of 203.07 g/mol, XLogP of -0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-piperazine-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 2734260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).