1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone

C14H20N2O2 — CID 110707763

IUPAC1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone
SMILESCC1CN(C)CCN1C(=O)COc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-12-10-15(2)8-9-16(12)14(17)11-18-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyKJBDXZNEUHDVEY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds3

About 1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone

1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone (PubChem CID 110707763) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone
PubChem CID110707763
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone
SMILESCC1CN(C)CCN1C(=O)COc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-12-10-15(2)8-9-16(12)14(17)11-18-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyKJBDXZNEUHDVEY-UHFFFAOYSA-N
XLogP1.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
CID 55394267
2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707765
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110741126
benzyl 2,4-dimethylpiperazine-1-carboxylate
CID 110707785
1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110707809
4-[5-[(2R)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1H-1,2,4-triazol-3-yl]benzoic acid
CID 68689267
1-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-4-methylpiperazin-1-yl]-2-phenoxyethanone
CID 68689004
1-[3-methyl-4-(2-phenoxyacetyl)piperazin-1-yl]-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 46078370
1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone
CID 95785407
N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide
CID 126426070
1-[(2S)-4-(6-ethylthieno[2,3-b]pyrrole-5-carbonyl)-2-methylpiperazin-1-yl]-2-phenoxyethanone
CID 7414908

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone?
The IUPAC name of 1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone (CID 110707763) is 1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone is CC1CN(C)CCN1C(=O)COc1ccccc1.
What is the InChIKey of 1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone?
The InChIKey is KJBDXZNEUHDVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12-10-15(2)8-9-16(12)14(17)11-18-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone?
1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone has a molecular weight of 248.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone is sourced from PubChem (CID 110707763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).