2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid

C8H17N3O2 — CID 143678012

IUPAC2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid
SMILESCNCN1CCN(C(=O)O)C(C)C1
InChIInChI=1S/C8H17N3O2/c1-7-5-10(6-9-2)3-4-11(7)8(12)13/h7,9H,3-6H2,1-2H3,(H,12,13)
InChIKeyLPWZIXRXOJVUOF-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.15
Rot. Bonds2

About 2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid

2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid (PubChem CID 143678012) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid
PubChem CID143678012
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid
SMILESCNCN1CCN(C(=O)O)C(C)C1
InChIInChI=1S/C8H17N3O2/c1-7-5-10(6-9-2)3-4-11(7)8(12)13/h7,9H,3-6H2,1-2H3,(H,12,13)
InChIKeyLPWZIXRXOJVUOF-UHFFFAOYSA-N
XLogP-0.15
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid?
The IUPAC name of 2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid (CID 143678012) is 2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid is CNCN1CCN(C(=O)O)C(C)C1.
What is the InChIKey of 2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid?
The InChIKey is LPWZIXRXOJVUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-7-5-10(6-9-2)3-4-11(7)8(12)13/h7,9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid?
2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 143678012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).