1-(aminomethyl)-4-methylpiperazin-2-one

C6H13N3O — CID 115102213

IUPAC1-(aminomethyl)-4-methylpiperazin-2-one
SMILESCN1CCN(CN)C(=O)C1
InChIInChI=1S/C6H13N3O/c1-8-2-3-9(5-7)6(10)4-8/h2-5,7H2,1H3
InChIKeyULRJEEHELOIAMK-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.32
Rot. Bonds1

About 1-(aminomethyl)-4-methylpiperazin-2-one

1-(aminomethyl)-4-methylpiperazin-2-one (PubChem CID 115102213) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(aminomethyl)-4-methylpiperazin-2-one
PubChem CID115102213
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name1-(aminomethyl)-4-methylpiperazin-2-one
SMILESCN1CCN(CN)C(=O)C1
InChIInChI=1S/C6H13N3O/c1-8-2-3-9(5-7)6(10)4-8/h2-5,7H2,1H3
InChIKeyULRJEEHELOIAMK-UHFFFAOYSA-N
XLogP-1.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropyl)-4-methylpiperazin-2-one
CID 69460716
4-methyl-1-prop-2-ynylpiperazin-2-one
CID 142444878
4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one
CID 155150634
1-(aminomethyl)azetidin-2-one
CID 70516989
1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one
CID 18344862
4-[(4-methyl-2-oxopiperazin-1-yl)methyl]benzoic acid;hydrochloride
CID 142651914
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one
CID 144817482
ethane;1-ethyl-4-methyl-2-methylidenepiperazine
CID 91069058
1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one
CID 90079623
4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 144622856
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methylpiperazin-2-one
CID 76684826

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methylpiperazin-2-one?
The IUPAC name of 1-(aminomethyl)-4-methylpiperazin-2-one (CID 115102213) is 1-(aminomethyl)-4-methylpiperazin-2-one.
What is the SMILES notation for 1-(aminomethyl)-4-methylpiperazin-2-one?
The canonical SMILES for 1-(aminomethyl)-4-methylpiperazin-2-one is CN1CCN(CN)C(=O)C1.
What is the InChIKey of 1-(aminomethyl)-4-methylpiperazin-2-one?
The InChIKey is ULRJEEHELOIAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-8-2-3-9(5-7)6(10)4-8/h2-5,7H2,1H3.
What are the key properties of 1-(aminomethyl)-4-methylpiperazin-2-one?
1-(aminomethyl)-4-methylpiperazin-2-one has a molecular weight of 143.19 g/mol, XLogP of -1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methylpiperazin-2-one is sourced from PubChem (CID 115102213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).