1,3,3-trimethylpiperazin-2-one

C7H14N2O — CID 63601948

IUPAC1,3,3-trimethylpiperazin-2-one
SMILESCN1CCNC(C)(C)C1=O
InChIInChI=1S/C7H14N2O/c1-7(2)6(10)9(3)5-4-8-7/h8H,4-5H2,1-3H3
InChIKeyJHGKOTVMWVTJJF-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.17
Rot. Bonds

About 1,3,3-trimethylpiperazin-2-one

1,3,3-trimethylpiperazin-2-one (PubChem CID 63601948) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1,3,3-trimethylpiperazin-2-one.

Molecular Properties

Compound Name1,3,3-trimethylpiperazin-2-one
PubChem CID63601948
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1,3,3-trimethylpiperazin-2-one
SMILESCN1CCNC(C)(C)C1=O
InChIInChI=1S/C7H14N2O/c1-7(2)6(10)9(3)5-4-8-7/h8H,4-5H2,1-3H3
InChIKeyJHGKOTVMWVTJJF-UHFFFAOYSA-N
XLogP-0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethylpiperazin-2-one?
The IUPAC name of 1,3,3-trimethylpiperazin-2-one (CID 63601948) is 1,3,3-trimethylpiperazin-2-one.
What is the SMILES notation for 1,3,3-trimethylpiperazin-2-one?
The canonical SMILES for 1,3,3-trimethylpiperazin-2-one is CN1CCNC(C)(C)C1=O.
What is the InChIKey of 1,3,3-trimethylpiperazin-2-one?
The InChIKey is JHGKOTVMWVTJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(2)6(10)9(3)5-4-8-7/h8H,4-5H2,1-3H3.
What are the key properties of 1,3,3-trimethylpiperazin-2-one?
1,3,3-trimethylpiperazin-2-one has a molecular weight of 142.20 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylpiperazin-2-one is sourced from PubChem (CID 63601948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).