3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one

C8H17N3O — CID 115102218

IUPAC3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one
SMILESCNCN1CCN(C)C(C)C1=O
InChIInChI=1S/C8H17N3O/c1-7-8(12)11(6-9-2)5-4-10(7)3/h7,9H,4-6H2,1-3H3
InChIKeyOTYOHCUUCVLSID-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.67
Rot. Bonds2

About 3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one

3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one (PubChem CID 115102218) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one.

Molecular Properties

Compound Name3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one
PubChem CID115102218
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one
SMILESCNCN1CCN(C)C(C)C1=O
InChIInChI=1S/C8H17N3O/c1-7-8(12)11(6-9-2)5-4-10(7)3/h7,9H,4-6H2,1-3H3
InChIKeyOTYOHCUUCVLSID-UHFFFAOYSA-N
XLogP-0.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one?
The IUPAC name of 3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one (CID 115102218) is 3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one.
What is the SMILES notation for 3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one?
The canonical SMILES for 3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one is CNCN1CCN(C)C(C)C1=O.
What is the InChIKey of 3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one?
The InChIKey is OTYOHCUUCVLSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7-8(12)11(6-9-2)5-4-10(7)3/h7,9H,4-6H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one?
3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one has a molecular weight of 171.24 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one is sourced from PubChem (CID 115102218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).