1-(2,5,5-trimethylpiperazin-1-yl)ethanone

C9H18N2O — CID 82240896

IUPAC1-(2,5,5-trimethylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CC(C)(C)NCC1C
InChIInChI=1S/C9H18N2O/c1-7-5-10-9(3,4)6-11(7)8(2)12/h7,10H,5-6H2,1-4H3
InChIKeyVFUZMKFPWOVNGM-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds

About 1-(2,5,5-trimethylpiperazin-1-yl)ethanone

1-(2,5,5-trimethylpiperazin-1-yl)ethanone (PubChem CID 82240896) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(2,5,5-trimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5,5-trimethylpiperazin-1-yl)ethanone
PubChem CID82240896
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(2,5,5-trimethylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CC(C)(C)NCC1C
InChIInChI=1S/C9H18N2O/c1-7-5-10-9(3,4)6-11(7)8(2)12/h7,10H,5-6H2,1-4H3
InChIKeyVFUZMKFPWOVNGM-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5,5-trimethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,5,5-trimethylpiperazin-1-yl)ethanone (CID 82240896) is 1-(2,5,5-trimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5,5-trimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,5,5-trimethylpiperazin-1-yl)ethanone is CC(=O)N1CC(C)(C)NCC1C.
What is the InChIKey of 1-(2,5,5-trimethylpiperazin-1-yl)ethanone?
The InChIKey is VFUZMKFPWOVNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-5-10-9(3,4)6-11(7)8(2)12/h7,10H,5-6H2,1-4H3.
What are the key properties of 1-(2,5,5-trimethylpiperazin-1-yl)ethanone?
1-(2,5,5-trimethylpiperazin-1-yl)ethanone has a molecular weight of 170.26 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5,5-trimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 82240896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).