piperazine-2-carboxylic acid;hydrochloride

C5H11ClN2O2 — CID 52987850

IUPACpiperazine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CNCCN1
InChIInChI=1S/C5H10N2O2.ClH/c8-5(9)4-3-6-1-2-7-4;/h4,6-7H,1-3H2,(H,8,9);1H
InChIKeyKIUVRQJNCIUBJN-UHFFFAOYSA-N
MW166.61 g/mol
LogP-0.95
Rot. Bonds1

About piperazine-2-carboxylic acid;hydrochloride

piperazine-2-carboxylic acid;hydrochloride (PubChem CID 52987850) has the molecular formula C5H11ClN2O2 and a molecular weight of 166.61 g/mol. Its IUPAC name is piperazine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namepiperazine-2-carboxylic acid;hydrochloride
PubChem CID52987850
Molecular FormulaC5H11ClN2O2
Molecular Weight166.61 g/mol
Exact Mass166.05
IUPAC Namepiperazine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CNCCN1
InChIInChI=1S/C5H10N2O2.ClH/c8-5(9)4-3-6-1-2-7-4;/h4,6-7H,1-3H2,(H,8,9);1H
InChIKeyKIUVRQJNCIUBJN-UHFFFAOYSA-N
XLogP-0.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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piperazine-2-carboxamide;1H-pyrrole;hydrochloride
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ethyl piperazine-2-carboxylate
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CID 83806832

Frequently Asked Questions

What is the IUPAC name of piperazine-2-carboxylic acid;hydrochloride?
The IUPAC name of piperazine-2-carboxylic acid;hydrochloride (CID 52987850) is piperazine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for piperazine-2-carboxylic acid;hydrochloride?
The canonical SMILES for piperazine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CNCCN1.
What is the InChIKey of piperazine-2-carboxylic acid;hydrochloride?
The InChIKey is KIUVRQJNCIUBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2.ClH/c8-5(9)4-3-6-1-2-7-4;/h4,6-7H,1-3H2,(H,8,9);1H.
What are the key properties of piperazine-2-carboxylic acid;hydrochloride?
piperazine-2-carboxylic acid;hydrochloride has a molecular weight of 166.61 g/mol, XLogP of -0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 52987850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).