1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone

C16H24N2O2 — CID 82264526

IUPAC1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone
SMILESCCCOc1ccc(C(=O)CN2CCNCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-3-10-20-14-4-5-15(13(2)11-14)16(19)12-18-8-6-17-7-9-18/h4-5,11,17H,3,6-10,12H2,1-2H3
InChIKeyFUWHKKNOMNEBLG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.87
Rot. Bonds6

About 1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone

1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone (PubChem CID 82264526) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone
PubChem CID82264526
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone
SMILESCCCOc1ccc(C(=O)CN2CCNCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-3-10-20-14-4-5-15(13(2)11-14)16(19)12-18-8-6-17-7-9-18/h4-5,11,17H,3,6-10,12H2,1-2H3
InChIKeyFUWHKKNOMNEBLG-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-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264527
1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone
CID 165354806
1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82263418
1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 566846
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone
CID 82266551
1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266630
1-(2-bromo-5-propoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 83988773
1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82267669
2-methyl-4-propoxybenzoyl chloride
CID 82631959
2-piperazin-1-yl-N-(3-propoxyphenyl)acetamide
CID 60851959
1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 93193762
2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone
CID 82264037

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone (CID 82264526) is 1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone is CCCOc1ccc(C(=O)CN2CCNCC2)c(C)c1.
What is the InChIKey of 1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone?
The InChIKey is FUWHKKNOMNEBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-10-20-14-4-5-15(13(2)11-14)16(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-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone?
1-(2-methyl-4-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-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 82264526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).