3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one

C15H22N2O — CID 110833337

IUPAC3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCc1cccc(C)c1CCC(=O)N1CCNCC1
InChIInChI=1S/C15H22N2O/c1-12-4-3-5-13(2)14(12)6-7-15(18)17-10-8-16-9-11-17/h3-5,16H,6-11H2,1-2H3
InChIKeyCRQNPVZFIOTSGA-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.67
Rot. Bonds3

About 3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one

3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one (PubChem CID 110833337) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
PubChem CID110833337
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCc1cccc(C)c1CCC(=O)N1CCNCC1
InChIInChI=1S/C15H22N2O/c1-12-4-3-5-13(2)14(12)6-7-15(18)17-10-8-16-9-11-17/h3-5,16H,6-11H2,1-2H3
InChIKeyCRQNPVZFIOTSGA-UHFFFAOYSA-N
XLogP1.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 83940086
4-(2,3-dimethylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83922013
1-(1,4-diazepan-1-yl)-3-(2,6-difluorophenyl)propan-1-one
CID 83925366
3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one
CID 82511099
3-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 39282675
4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one
CID 83923767
3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 83931483
2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone
CID 9156518
3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
CID 143559381
2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone
CID 107147060
3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one
CID 83925483
4-(2-methylphenoxy)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403750

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one (CID 110833337) is 3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one is Cc1cccc(C)c1CCC(=O)N1CCNCC1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is CRQNPVZFIOTSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-4-3-5-13(2)14(12)6-7-15(18)17-10-8-16-9-11-17/h3-5,16H,6-11H2,1-2H3.
What are the key properties of 3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one?
3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 246.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 110833337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).