1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one

C15H22N2O2 — CID 65461132

IUPAC1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one
SMILESCC1(C)CNCCN1C(=O)CCOc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-15(2)12-16-9-10-17(15)14(18)8-11-19-13-6-4-3-5-7-13/h3-7,16H,8-12H2,1-2H3
InChIKeyQLXNMTKKTVXYMT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.67
Rot. Bonds4

About 1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one

1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one (PubChem CID 65461132) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one
PubChem CID65461132
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one
SMILESCC1(C)CNCCN1C(=O)CCOc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-15(2)12-16-9-10-17(15)14(18)8-11-19-13-6-4-3-5-7-13/h3-7,16H,8-12H2,1-2H3
InChIKeyQLXNMTKKTVXYMT-UHFFFAOYSA-N
XLogP1.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 65460524
1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one
CID 81483874
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 115266988
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one
CID 115304623
phenyl 2-amino-2-methylpiperazine-1-carboxylate
CID 69325233
2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone
CID 79001733
3-ethyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63146290
2,2-diethyl-1-(2-phenoxyethyl)piperazine
CID 64846196
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
CID 112534348

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one (CID 65461132) is 1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one is CC1(C)CNCCN1C(=O)CCOc1ccccc1.
What is the InChIKey of 1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one?
The InChIKey is QLXNMTKKTVXYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)12-16-9-10-17(15)14(18)8-11-19-13-6-4-3-5-7-13/h3-7,16H,8-12H2,1-2H3.
What are the key properties of 1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one?
1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one is sourced from PubChem (CID 65461132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).