2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride

C7H15ClN2O2 — CID 146446814

IUPAC2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
SMILESCC1CN(C)CCN1C(=O)O.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-6-5-8(2)3-4-9(6)7(10)11;/h6H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyJPMRSSBTWDSBDK-UHFFFAOYSA-N
MW194.66 g/mol
LogP0.72
Rot. Bonds

About 2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride

2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride (PubChem CID 146446814) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
PubChem CID146446814
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Name2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
SMILESCC1CN(C)CCN1C(=O)O.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-6-5-8(2)3-4-9(6)7(10)11;/h6H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyJPMRSSBTWDSBDK-UHFFFAOYSA-N
XLogP0.72
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride?
The IUPAC name of 2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride (CID 146446814) is 2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride?
The canonical SMILES for 2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride is CC1CN(C)CCN1C(=O)O.Cl.
What is the InChIKey of 2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride?
The InChIKey is JPMRSSBTWDSBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c1-6-5-8(2)3-4-9(6)7(10)11;/h6H,3-5H2,1-2H3,(H,10,11);1H.
What are the key properties of 2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride?
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 146446814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).