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

C17H26N2O — CID 82267292

IUPAC2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
SMILESCc1cc(C)c(C)c(C(=O)C(C)N2CCNCC2)c1C
InChIInChI=1S/C17H26N2O/c1-11-10-12(2)14(4)16(13(11)3)17(20)15(5)19-8-6-18-7-9-19/h10,15,18H,6-9H2,1-5H3
InChIKeySVFASKSFANGZOM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.40
Rot. Bonds3

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

2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one (PubChem CID 82267292) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
PubChem CID82267292
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
SMILESCc1cc(C)c(C)c(C(=O)C(C)N2CCNCC2)c1C
InChIInChI=1S/C17H26N2O/c1-11-10-12(2)14(4)16(13(11)3)17(20)15(5)19-8-6-18-7-9-19/h10,15,18H,6-9H2,1-5H3
InChIKeySVFASKSFANGZOM-UHFFFAOYSA-N
XLogP2.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one
CID 82136425
piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
CID 82130774
1-(4-bromo-3-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264459
1-(5-tert-butyl-2-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266176
1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266482
1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
CID 62052304
1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one
CID 116924119
1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one
CID 83559257
1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264638
1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266995
1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82265840
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
The IUPAC name of 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one (CID 82267292) is 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one.
What is the SMILES notation for 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
The canonical SMILES for 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one is Cc1cc(C)c(C)c(C(=O)C(C)N2CCNCC2)c1C.
What is the InChIKey of 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
The InChIKey is SVFASKSFANGZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11-10-12(2)14(4)16(13(11)3)17(20)15(5)19-8-6-18-7-9-19/h10,15,18H,6-9H2,1-5H3.
What are the key properties of 2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.40, 3 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)propan-1-one is sourced from PubChem (CID 82267292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).