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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Related Compounds

4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid
CID 68651622
4-(2-aminoethyl)-2-methylpiperazine-1-carboxylic acid
CID 67016354
(2S)-4-[(5-bromothiophen-2-yl)methyl]-2-methylpiperazine-1-carboxylic acid
CID 68892622
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
CID 146446814
(2S)-4-[(4-acetamido-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylic acid
CID 67526452
(2S)-4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylic acid
CID 87614140
2-methyl-4-prop-2-enoylpiperazine-1-carboxylic acid
CID 135149025
1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone
CID 96554956
4-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-2-methylpiperazine-1-carboxylic acid
CID 70980445
2-methyl-10-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid;2-methyl-10-(2,3,4-trihydroxybutyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 67811526
1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane
CID 161188092
benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate
CID 71023012

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).