4-methylpiperazine-1-carboxylic acid

C6H12N2O2 — CID 6453585

IUPAC4-methylpiperazine-1-carboxylic acid
SMILESCN1CCN(C(=O)O)CC1
InChIInChI=1S/C6H12N2O2/c1-7-2-4-8(5-3-7)6(9)10/h2-5H2,1H3,(H,9,10)
InChIKeyKNWWGBNAUNTSRV-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.09
Rot. Bonds

About 4-methylpiperazine-1-carboxylic acid

4-methylpiperazine-1-carboxylic acid (PubChem CID 6453585) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-methylpiperazine-1-carboxylic acid
PubChem CID6453585
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name4-methylpiperazine-1-carboxylic acid
SMILESCN1CCN(C(=O)O)CC1
InChIInChI=1S/C6H12N2O2/c1-7-2-4-8(5-3-7)6(9)10/h2-5H2,1H3,(H,9,10)
InChIKeyKNWWGBNAUNTSRV-UHFFFAOYSA-N
XLogP-0.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methylpiperazine-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

Piperazine-1,4-dicarboxylic acid
CID 15646800
4-Hydroxypiperazine-1-carboxylic acid
CID 23090519
4-Chloropiperazine-1-carboxylic acid
CID 90820308
4-(2,2,2-Trifluoroethyl)piperazine-1-carboxylic acid
CID 23069784
4-(2-Fluoroethyl)piperazine-1-carboxylic acid
CID 45099648
(3S)-3-(fluoromethyl)-4-methylpiperazine-1-carboxylic acid
CID 68807075
3-(Fluoromethyl)-4-methylpiperazine-1-carboxylic acid
CID 77557155
2-Fluoro-4-methylpiperazine-1-carboxylic acid
CID 87324699
4-(2,2-Difluoroethyl)piperazine-1-carboxylic acid
CID 89713835
Fluoro 4-methylpiperazine-1-carboxylate
CID 145468337
(3R)-3-(fluoromethyl)-4-methylpiperazine-1-carboxylic acid
CID 170311306
2-(Fluoromethyl)-4-methylpiperazine-1-carboxylic acid
CID 170311423

Frequently Asked Questions

What is the IUPAC name of 4-methylpiperazine-1-carboxylic acid?
The IUPAC name of 4-methylpiperazine-1-carboxylic acid (CID 6453585) is 4-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-methylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-methylpiperazine-1-carboxylic acid is CN1CCN(C(=O)O)CC1.
What is the InChIKey of 4-methylpiperazine-1-carboxylic acid?
The InChIKey is KNWWGBNAUNTSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-7-2-4-8(5-3-7)6(9)10/h2-5H2,1H3,(H,9,10).
What are the key properties of 4-methylpiperazine-1-carboxylic acid?
4-methylpiperazine-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 6453585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).