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

C10H20N2O2 — CID 115737245

IUPAC1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1C(C)CNCC1C
InChIInChI=1S/C10H20N2O2/c1-7-5-11-6-8(2)12(7)10(13)9(3)14-4/h7-9,11H,5-6H2,1-4H3
InChIKeyZNSQGRKWVPTXRZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds2

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

1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one (PubChem CID 115737245) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one
PubChem CID115737245
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1C(C)CNCC1C
InChIInChI=1S/C10H20N2O2/c1-7-5-11-6-8(2)12(7)10(13)9(3)14-4/h7-9,11H,5-6H2,1-4H3
InChIKeyZNSQGRKWVPTXRZ-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
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)-2-methoxypropan-1-one?
The IUPAC name of 1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one (CID 115737245) is 1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one?
The canonical SMILES for 1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one is COC(C)C(=O)N1C(C)CNCC1C.
What is the InChIKey of 1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one?
The InChIKey is ZNSQGRKWVPTXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7-5-11-6-8(2)12(7)10(13)9(3)14-4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one?
1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.23, 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)-2-methoxypropan-1-one is sourced from PubChem (CID 115737245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).