1-methylpiperazine-2-carboxylic acid;hydrochloride

C6H13ClN2O2 — CID 91989357

IUPAC1-methylpiperazine-2-carboxylic acid;hydrochloride
SMILESCN1CCNCC1C(=O)O.Cl
InChIInChI=1S/C6H12N2O2.ClH/c1-8-3-2-7-4-5(8)6(9)10;/h5,7H,2-4H2,1H3,(H,9,10);1H
InChIKeyYWPCEXCDFYVODP-UHFFFAOYSA-N
MW180.63 g/mol
LogP-0.60
Rot. Bonds1

About 1-methylpiperazine-2-carboxylic acid;hydrochloride

1-methylpiperazine-2-carboxylic acid;hydrochloride (PubChem CID 91989357) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is 1-methylpiperazine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-methylpiperazine-2-carboxylic acid;hydrochloride
PubChem CID91989357
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC Name1-methylpiperazine-2-carboxylic acid;hydrochloride
SMILESCN1CCNCC1C(=O)O.Cl
InChIInChI=1S/C6H12N2O2.ClH/c1-8-3-2-7-4-5(8)6(9)10;/h5,7H,2-4H2,1H3,(H,9,10);1H
InChIKeyYWPCEXCDFYVODP-UHFFFAOYSA-N
XLogP-0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-methylpiperazine-2-carboxylic acid;hydrochloride (CID 91989357) is 1-methylpiperazine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-methylpiperazine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-methylpiperazine-2-carboxylic acid;hydrochloride is CN1CCNCC1C(=O)O.Cl.
What is the InChIKey of 1-methylpiperazine-2-carboxylic acid;hydrochloride?
The InChIKey is YWPCEXCDFYVODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.ClH/c1-8-3-2-7-4-5(8)6(9)10;/h5,7H,2-4H2,1H3,(H,9,10);1H.
What are the key properties of 1-methylpiperazine-2-carboxylic acid;hydrochloride?
1-methylpiperazine-2-carboxylic acid;hydrochloride has a molecular weight of 180.63 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 91989357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).