2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone

C17H26N2O2 — CID 82134931

IUPAC2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
SMILESCOc1ccc(C(C)(C)C)cc1CC(=O)N1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)14-5-6-15(21-4)13(11-14)12-16(20)19-9-7-18-8-10-19/h5-6,11,18H,7-10,12H2,1-4H3
InChIKeyNBMHIJADGCLPEX-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.97
Rot. Bonds3

About 2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone

2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone (PubChem CID 82134931) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
PubChem CID82134931
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
SMILESCOc1ccc(C(C)(C)C)cc1CC(=O)N1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)14-5-6-15(21-4)13(11-14)12-16(20)19-9-7-18-8-10-19/h5-6,11,18H,7-10,12H2,1-4H3
InChIKeyNBMHIJADGCLPEX-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110767353
2-(5-fluoro-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82087911
2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82090895
2-(3-bromo-4-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82135497
1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine
CID 82255612
sodium 2-(5-tert-butyl-2-methoxyphenyl)acetate
CID 18684898
2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
CID 141462350
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 110767129
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
2-(2,5-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119578268
4-(5-tert-butyl-2-methylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83935353

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone (CID 82134931) is 2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone is COc1ccc(C(C)(C)C)cc1CC(=O)N1CCNCC1.
What is the InChIKey of 2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone?
The InChIKey is NBMHIJADGCLPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)14-5-6-15(21-4)13(11-14)12-16(20)19-9-7-18-8-10-19/h5-6,11,18H,7-10,12H2,1-4H3.
What are the key properties of 2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone?
2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone has a molecular weight of 290.41 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82134931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).