4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one

C17H26N2O2 — CID 83933648

IUPAC4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one
SMILESCCOc1ccc(C)cc1CCCC(=O)N1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-3-21-16-8-7-14(2)13-15(16)5-4-6-17(20)19-11-9-18-10-12-19/h7-8,13,18H,3-6,9-12H2,1-2H3
InChIKeyKYIUELNJDVVGNM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.15
Rot. Bonds6

About 4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one

4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one (PubChem CID 83933648) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one
PubChem CID83933648
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one
SMILESCCOc1ccc(C)cc1CCCC(=O)N1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-3-21-16-8-7-14(2)13-15(16)5-4-6-17(20)19-11-9-18-10-12-19/h7-8,13,18H,3-6,9-12H2,1-2H3
InChIKeyKYIUELNJDVVGNM-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933517
4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933257
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 82086276
3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933523
4-(2-ethyl-4-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83941549
4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone
CID 82134628
4-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83931484
3-(2-tert-butyl-4-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39306106
4-(2,3-dimethylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83922013
1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
CID 83933258

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one (CID 83933648) is 4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one is CCOc1ccc(C)cc1CCCC(=O)N1CCNCC1.
What is the InChIKey of 4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one?
The InChIKey is KYIUELNJDVVGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-21-16-8-7-14(2)13-15(16)5-4-6-17(20)19-11-9-18-10-12-19/h7-8,13,18H,3-6,9-12H2,1-2H3.
What are the key properties of 4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one?
4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 83933648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).