2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride

C8H18Cl2N2O2 — CID 126809353

IUPAC2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride
SMILESCC(C)(C(=O)O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C8H16N2O2.2ClH/c1-8(2,7(11)12)10-5-3-9-4-6-10;;/h9H,3-6H2,1-2H3,(H,11,12);2*1H
InChIKeyHGAMLXYUWSGYQG-UHFFFAOYSA-N
MW245.15 g/mol
LogP0.60
Rot. Bonds2

About 2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride

2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride (PubChem CID 126809353) has the molecular formula C8H18Cl2N2O2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride
PubChem CID126809353
Molecular FormulaC8H18Cl2N2O2
Molecular Weight245.15 g/mol
Exact Mass244.07
IUPAC Name2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride
SMILESCC(C)(C(=O)O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C8H16N2O2.2ClH/c1-8(2,7(11)12)10-5-3-9-4-6-10;;/h9H,3-6H2,1-2H3,(H,11,12);2*1H
InChIKeyHGAMLXYUWSGYQG-UHFFFAOYSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride?
The IUPAC name of 2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride (CID 126809353) is 2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride.
What is the SMILES notation for 2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride?
The canonical SMILES for 2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride is CC(C)(C(=O)O)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride?
The InChIKey is HGAMLXYUWSGYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.2ClH/c1-8(2,7(11)12)10-5-3-9-4-6-10;;/h9H,3-6H2,1-2H3,(H,11,12);2*1H.
What are the key properties of 2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride?
2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride has a molecular weight of 245.15 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-ylpropanoic acid;dihydrochloride is sourced from PubChem (CID 126809353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).