1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one

C16H24N2O — CID 65460524

IUPAC1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)N1CCNCC1(C)C
InChIInChI=1S/C16H24N2O/c1-13-6-4-5-7-14(13)8-9-15(19)18-11-10-17-12-16(18,2)3/h4-7,17H,8-12H2,1-3H3
InChIKeyPFNFHZIKGCEKMI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.14
Rot. Bonds3

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

1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one (PubChem CID 65460524) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one
PubChem CID65460524
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)N1CCNCC1(C)C
InChIInChI=1S/C16H24N2O/c1-13-6-4-5-7-14(13)8-9-15(19)18-11-10-17-12-16(18,2)3/h4-7,17H,8-12H2,1-3H3
InChIKeyPFNFHZIKGCEKMI-UHFFFAOYSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 65460937
1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one
CID 81483874
1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 65461132
1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115273150
3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one
CID 63605872
1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 115273147
1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone
CID 115273139
3-(2-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418972
3-(2-methylphenyl)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-one
CID 119521252
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 79411304
2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone
CID 79001733
(2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 65462948

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one (CID 65460524) is 1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one is Cc1ccccc1CCC(=O)N1CCNCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one?
The InChIKey is PFNFHZIKGCEKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-6-4-5-7-14(13)8-9-15(19)18-11-10-17-12-16(18,2)3/h4-7,17H,8-12H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one?
1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 65460524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).