4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one

C18H28N2O2 — CID 83933517

IUPAC4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
SMILESCCCOc1ccc(C)cc1CCCC(=O)N1CCNCC1
InChIInChI=1S/C18H28N2O2/c1-3-13-22-17-8-7-15(2)14-16(17)5-4-6-18(21)20-11-9-19-10-12-20/h7-8,14,19H,3-6,9-13H2,1-2H3
InChIKeyUNCONPRVGHFOPG-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.54
Rot. Bonds7

About 4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one

4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one (PubChem CID 83933517) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
PubChem CID83933517
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
SMILESCCCOc1ccc(C)cc1CCCC(=O)N1CCNCC1
InChIInChI=1S/C18H28N2O2/c1-3-13-22-17-8-7-15(2)14-16(17)5-4-6-18(21)20-11-9-19-10-12-20/h7-8,14,19H,3-6,9-13H2,1-2H3
InChIKeyUNCONPRVGHFOPG-UHFFFAOYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933648
3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933523
4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933257
3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83937750
3-(2-tert-butyl-4-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39306106
3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83954594
4-(5-methyl-2-propoxyphenyl)butanethioamide
CID 83933530
4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 82086276
1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82263418
4-(2-ethyl-4-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83941549
4-(2-methylphenoxy)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403750

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one (CID 83933517) is 4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one is CCCOc1ccc(C)cc1CCCC(=O)N1CCNCC1.
What is the InChIKey of 4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one?
The InChIKey is UNCONPRVGHFOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-13-22-17-8-7-15(2)14-16(17)5-4-6-18(21)20-11-9-19-10-12-20/h7-8,14,19H,3-6,9-13H2,1-2H3.
What are the key properties of 4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one?
4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 83933517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).