1-(2,6-dimethylpiperazin-1-yl)propan-2-one

C9H18N2O — CID 67990028

IUPAC1-(2,6-dimethylpiperazin-1-yl)propan-2-one
SMILESCC(=O)CN1C(C)CNCC1C
InChIInChI=1S/C9H18N2O/c1-7-4-10-5-8(2)11(7)6-9(3)12/h7-8,10H,4-6H2,1-3H3
InChIKeyCBJHDSXJVICRGV-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.26
Rot. Bonds2

About 1-(2,6-dimethylpiperazin-1-yl)propan-2-one

1-(2,6-dimethylpiperazin-1-yl)propan-2-one (PubChem CID 67990028) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperazin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylpiperazin-1-yl)propan-2-one
PubChem CID67990028
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(2,6-dimethylpiperazin-1-yl)propan-2-one
SMILESCC(=O)CN1C(C)CNCC1C
InChIInChI=1S/C9H18N2O/c1-7-4-10-5-8(2)11(7)6-9(3)12/h7-8,10H,4-6H2,1-3H3
InChIKeyCBJHDSXJVICRGV-UHFFFAOYSA-N
XLogP0.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperazin-1-yl)propan-2-one?
The IUPAC name of 1-(2,6-dimethylpiperazin-1-yl)propan-2-one (CID 67990028) is 1-(2,6-dimethylpiperazin-1-yl)propan-2-one.
What is the SMILES notation for 1-(2,6-dimethylpiperazin-1-yl)propan-2-one?
The canonical SMILES for 1-(2,6-dimethylpiperazin-1-yl)propan-2-one is CC(=O)CN1C(C)CNCC1C.
What is the InChIKey of 1-(2,6-dimethylpiperazin-1-yl)propan-2-one?
The InChIKey is CBJHDSXJVICRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-4-10-5-8(2)11(7)6-9(3)12/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperazin-1-yl)propan-2-one?
1-(2,6-dimethylpiperazin-1-yl)propan-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperazin-1-yl)propan-2-one is sourced from PubChem (CID 67990028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).