1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one

C16H24N2O — CID 897293

IUPAC1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1cccc(N2CCN(C(=O)C(C)C)CC2)c1C
InChIInChI=1S/C16H24N2O/c1-12(2)16(19)18-10-8-17(9-11-18)15-7-5-6-13(3)14(15)4/h5-7,12H,8-11H2,1-4H3
InChIKeyKFWOHYYCXICJDX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.61
Rot. Bonds2

About 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 897293) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID897293
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1cccc(N2CCN(C(=O)C(C)C)CC2)c1C
InChIInChI=1S/C16H24N2O/c1-12(2)16(19)18-10-8-17(9-11-18)15-7-5-6-13(3)14(15)4/h5-7,12H,8-11H2,1-4H3
InChIKeyKFWOHYYCXICJDX-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 43243118
3-chloro-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 62728459
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 114897065
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one
CID 60719002
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 51082075
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 3296899
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
CID 119828404
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-ethylphenoxy)propan-1-one
CID 93487021
(2S)-2-(4-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 7494519
4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 1305709
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 5308589
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one (CID 897293) is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one is Cc1cccc(N2CCN(C(=O)C(C)C)CC2)c1C.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is KFWOHYYCXICJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)16(19)18-10-8-17(9-11-18)15-7-5-6-13(3)14(15)4/h5-7,12H,8-11H2,1-4H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 897293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).