1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one

C12H26N4O — CID 15173880

IUPAC1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one
SMILESCN(C)CCN1CCN(CCN(C)C)C(=O)C1
InChIInChI=1S/C12H26N4O/c1-13(2)5-7-15-8-10-16(12(17)11-15)9-6-14(3)4/h5-11H2,1-4H3
InChIKeyIRBJANUAKATWBN-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.75
Rot. Bonds6

About 1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one

1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one (PubChem CID 15173880) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one.

Molecular Properties

Compound Name1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one
PubChem CID15173880
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one
SMILESCN(C)CCN1CCN(CCN(C)C)C(=O)C1
InChIInChI=1S/C12H26N4O/c1-13(2)5-7-15-8-10-16(12(17)11-15)9-6-14(3)4/h5-11H2,1-4H3
InChIKeyIRBJANUAKATWBN-UHFFFAOYSA-N
XLogP-0.75
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one?
The IUPAC name of 1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one (CID 15173880) is 1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one.
What is the SMILES notation for 1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one?
The canonical SMILES for 1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one is CN(C)CCN1CCN(CCN(C)C)C(=O)C1.
What is the InChIKey of 1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one?
The InChIKey is IRBJANUAKATWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-13(2)5-7-15-8-10-16(12(17)11-15)9-6-14(3)4/h5-11H2,1-4H3.
What are the key properties of 1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one?
1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one has a molecular weight of 242.37 g/mol, XLogP of -0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(dimethylamino)ethyl]piperazin-2-one is sourced from PubChem (CID 15173880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).