2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one

C18H28N2O — CID 82136425

IUPAC2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one
SMILESCCC(C(=O)c1c(C)c(C)cc(C)c1C)N1CCNCC1
InChIInChI=1S/C18H28N2O/c1-6-16(20-9-7-19-8-10-20)18(21)17-14(4)12(2)11-13(3)15(17)5/h11,16,19H,6-10H2,1-5H3
InChIKeyRJRSWIOSKOPGET-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.79
Rot. Bonds4

About 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one

2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one (PubChem CID 82136425) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one.

Molecular Properties

Compound Name2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one
PubChem CID82136425
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one
SMILESCCC(C(=O)c1c(C)c(C)cc(C)c1C)N1CCNCC1
InChIInChI=1S/C18H28N2O/c1-6-16(20-9-7-19-8-10-20)18(21)17-14(4)12(2)11-13(3)15(17)5/h11,16,19H,6-10H2,1-5H3
InChIKeyRJRSWIOSKOPGET-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82267292
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
3-piperazin-1-ylpentan-2-one
CID 68969032
1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one
CID 82136391
piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
CID 82130774
2-(1,4-diazepan-1-yl)butanoic acid
CID 60992815
1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one
CID 82256389
2-(1,4-diazepan-1-yl)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82256390
4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid
CID 71676843
1-piperazin-1-ylpropyl 4-fluorobenzoate;hydrochloride
CID 70607855
2-[4-(1-carboxy-2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-hydroxypropanoic acid
CID 57254174
N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide
CID 82302374

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one?
The IUPAC name of 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one (CID 82136425) is 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one.
What is the SMILES notation for 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one?
The canonical SMILES for 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one is CCC(C(=O)c1c(C)c(C)cc(C)c1C)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one?
The InChIKey is RJRSWIOSKOPGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-6-16(20-9-7-19-8-10-20)18(21)17-14(4)12(2)11-13(3)15(17)5/h11,16,19H,6-10H2,1-5H3.
What are the key properties of 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one?
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one has a molecular weight of 288.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one is sourced from PubChem (CID 82136425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).