4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one

C17H26N2O2 — CID 83932209

IUPAC4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
SMILESCCOc1ccc(CCC(C)C(=O)N2CCNCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-21-16-8-6-15(7-9-16)5-4-14(2)17(20)19-12-10-18-11-13-19/h6-9,14,18H,3-5,10-13H2,1-2H3
InChIKeyYMHQJYWAGONUGF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.09
Rot. Bonds6

About 4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one

4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one (PubChem CID 83932209) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
PubChem CID83932209
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
SMILESCCOc1ccc(CCC(C)C(=O)N2CCNCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-21-16-8-6-15(7-9-16)5-4-14(2)17(20)19-12-10-18-11-13-19/h6-9,14,18H,3-5,10-13H2,1-2H3
InChIKeyYMHQJYWAGONUGF-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[2-(2-methylpropoxy)phenyl]-1-piperazin-1-ylbutan-1-one
CID 83932443
4-ethoxy-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)benzamide
CID 119403546
2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one
CID 107708897
4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83922020
1-(1,4-diazepan-1-yl)-4-(2-fluorophenyl)-2-methylbutan-1-one;hydrochloride
CID 119415154
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454852
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol
CID 112512841
(4-ethoxyphenyl) 1,4-diazepane-1-carboxylate
CID 82303735
3-(4-bromophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 82095106
4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one (CID 83932209) is 4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one is CCOc1ccc(CCC(C)C(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one?
The InChIKey is YMHQJYWAGONUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-21-16-8-6-15(7-9-16)5-4-14(2)17(20)19-12-10-18-11-13-19/h6-9,14,18H,3-5,10-13H2,1-2H3.
What are the key properties of 4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one?
4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 83932209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).