2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid

C7H15N3O2 — CID 70037623

IUPAC2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
SMILESCN1CCN(C(=O)O)C(CN)C1
InChIInChI=1S/C7H15N3O2/c1-9-2-3-10(7(11)12)6(4-8)5-9/h6H,2-5,8H2,1H3,(H,11,12)
InChIKeyPETVELKRGNATKW-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.76
Rot. Bonds1

About 2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid

2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid (PubChem CID 70037623) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
PubChem CID70037623
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
SMILESCN1CCN(C(=O)O)C(CN)C1
InChIInChI=1S/C7H15N3O2/c1-9-2-3-10(7(11)12)6(4-8)5-9/h6H,2-5,8H2,1H3,(H,11,12)
InChIKeyPETVELKRGNATKW-UHFFFAOYSA-N
XLogP-0.76
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-4-methylpiperazin-1-yl]prop-2-en-1-one
CID 80504839
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 80504912
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone
CID 80505035
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 104872381
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 80504874
2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide
CID 80504793
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
CID 80505933
2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide
CID 80504975
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828078
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 80505095
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(thian-4-yl)ethanone
CID 83137766
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 80505057

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid (CID 70037623) is 2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid is CN1CCN(C(=O)O)C(CN)C1.
What is the InChIKey of 2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid?
The InChIKey is PETVELKRGNATKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-9-2-3-10(7(11)12)6(4-8)5-9/h6H,2-5,8H2,1H3,(H,11,12).
What are the key properties of 2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid?
2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid has a molecular weight of 173.22 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 70037623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).