1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one

C17H26N2O — CID 115414667

IUPAC1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
SMILESCc1ccc(CC(=O)CC2CN(C)CCN2C)cc1C
InChIInChI=1S/C17H26N2O/c1-13-5-6-15(9-14(13)2)10-17(20)11-16-12-18(3)7-8-19(16)4/h5-6,9,16H,7-8,10-12H2,1-4H3
InChIKeyIGORYNWWHAWDJG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.05
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one

1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one (PubChem CID 115414667) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
PubChem CID115414667
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
SMILESCc1ccc(CC(=O)CC2CN(C)CCN2C)cc1C
InChIInChI=1S/C17H26N2O/c1-13-5-6-15(9-14(13)2)10-17(20)11-16-12-18(3)7-8-19(16)4/h5-6,9,16H,7-8,10-12H2,1-4H3
InChIKeyIGORYNWWHAWDJG-UHFFFAOYSA-N
XLogP2.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414660
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one
CID 115414554
1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 115414583
1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one
CID 115414666
1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414552
2-(3,4-dimethylphenyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 63107174
N-[(2,5-dimethylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63899121
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide
CID 114480343
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide
CID 63898951
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63899108
ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride
CID 90485290
2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110766864

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one (CID 115414667) is 1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one is Cc1ccc(CC(=O)CC2CN(C)CCN2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one?
The InChIKey is IGORYNWWHAWDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-5-6-15(9-14(13)2)10-17(20)11-16-12-18(3)7-8-19(16)4/h5-6,9,16H,7-8,10-12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one?
1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one has a molecular weight of 274.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one is sourced from PubChem (CID 115414667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).