1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone

C16H24N2O2 — CID 82263418

IUPAC1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone
SMILESCCCOc1ccc(C)cc1C(=O)CN1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-3-10-20-16-5-4-13(2)11-14(16)15(19)12-18-8-6-17-7-9-18/h4-5,11,17H,3,6-10,12H2,1-2H3
InChIKeyOKEQTJADWIFMJF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.87
Rot. Bonds6

About 1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone

1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone (PubChem CID 82263418) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone
PubChem CID82263418
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone
SMILESCCCOc1ccc(C)cc1C(=O)CN1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-3-10-20-16-5-4-13(2)11-14(16)15(19)12-18-8-6-17-7-9-18/h4-5,11,17H,3,6-10,12H2,1-2H3
InChIKeyOKEQTJADWIFMJF-UHFFFAOYSA-N
XLogP1.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-butoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93192756
2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82263426
1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82264526
3-(1,4-diazepan-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-one
CID 82136479
2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone
CID 82264037
1-[2-(2-ethoxy-5-methylphenyl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 82136178
3-chloro-1-(5-methyl-2-propoxyphenyl)propan-1-one
CID 82051946
1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 93193762
2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone
CID 93192801
1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266393
4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933517
1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone
CID 165354806

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone (CID 82263418) is 1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone is CCCOc1ccc(C)cc1C(=O)CN1CCNCC1.
What is the InChIKey of 1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone?
The InChIKey is OKEQTJADWIFMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-10-20-16-5-4-13(2)11-14(16)15(19)12-18-8-6-17-7-9-18/h4-5,11,17H,3,6-10,12H2,1-2H3.
What are the key properties of 1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone?
1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone has a molecular weight of 276.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 82263418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).