ethane;1,3,4-trimethylpiperazin-2-one

C11H26N2O — CID 54247958

IUPACethane;1,3,4-trimethylpiperazin-2-one
SMILESCC.CC.CC1C(=O)N(C)CCN1C
InChIInChI=1S/C7H14N2O.2C2H6/c1-6-7(10)9(3)5-4-8(6)2;2*1-2/h6H,4-5H2,1-3H3;2*1-2H3
InChIKeyQUQFVWKSGABQCJ-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.83
Rot. Bonds

About ethane;1,3,4-trimethylpiperazin-2-one

ethane;1,3,4-trimethylpiperazin-2-one (PubChem CID 54247958) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is ethane;1,3,4-trimethylpiperazin-2-one.

Molecular Properties

Compound Nameethane;1,3,4-trimethylpiperazin-2-one
PubChem CID54247958
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Nameethane;1,3,4-trimethylpiperazin-2-one
SMILESCC.CC.CC1C(=O)N(C)CCN1C
InChIInChI=1S/C7H14N2O.2C2H6/c1-6-7(10)9(3)5-4-8(6)2;2*1-2/h6H,4-5H2,1-3H3;2*1-2H3
InChIKeyQUQFVWKSGABQCJ-UHFFFAOYSA-N
XLogP1.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3,4-trimethylpiperazin-2-one?
The IUPAC name of ethane;1,3,4-trimethylpiperazin-2-one (CID 54247958) is ethane;1,3,4-trimethylpiperazin-2-one.
What is the SMILES notation for ethane;1,3,4-trimethylpiperazin-2-one?
The canonical SMILES for ethane;1,3,4-trimethylpiperazin-2-one is CC.CC.CC1C(=O)N(C)CCN1C.
What is the InChIKey of ethane;1,3,4-trimethylpiperazin-2-one?
The InChIKey is QUQFVWKSGABQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.2C2H6/c1-6-7(10)9(3)5-4-8(6)2;2*1-2/h6H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of ethane;1,3,4-trimethylpiperazin-2-one?
ethane;1,3,4-trimethylpiperazin-2-one has a molecular weight of 202.34 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,4-trimethylpiperazin-2-one is sourced from PubChem (CID 54247958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).