1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone

C15H22N2O2 — CID 177194654

IUPAC1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone
SMILESCOC(C)c1ccc(N2CCNCC2)cc1C(C)=O
InChIInChI=1S/C15H22N2O2/c1-11(18)15-10-13(17-8-6-16-7-9-17)4-5-14(15)12(2)19-3/h4-5,10,12,16H,6-9H2,1-3H3
InChIKeyCKYXKZNGGISDSH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.01
Rot. Bonds4

About 1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone

1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone (PubChem CID 177194654) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone
PubChem CID177194654
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone
SMILESCOC(C)c1ccc(N2CCNCC2)cc1C(C)=O
InChIInChI=1S/C15H22N2O2/c1-11(18)15-10-13(17-8-6-16-7-9-17)4-5-14(15)12(2)19-3/h4-5,10,12,16H,6-9H2,1-3H3
InChIKeyCKYXKZNGGISDSH-UHFFFAOYSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-piperazin-1-ylphenyl)ethanone
CID 104612700
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
2-chloro-5-piperazin-1-ylbenzoic acid
CID 83648477
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate
CID 159731714
butyl 2-(1-cyanoethyl)-5-piperazin-1-ylbenzoate
CID 70259207
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine
CID 155722084
(2S)-2-amino-2-(2-hydroxy-4-piperazin-1-ylphenyl)acetic acid
CID 66512719
1-(7-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 28707370
2-methoxy-4-piperazin-1-ylphenol
CID 24820540

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone?
The IUPAC name of 1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone (CID 177194654) is 1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone.
What is the SMILES notation for 1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone?
The canonical SMILES for 1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone is COC(C)c1ccc(N2CCNCC2)cc1C(C)=O.
What is the InChIKey of 1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone?
The InChIKey is CKYXKZNGGISDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(18)15-10-13(17-8-6-16-7-9-17)4-5-14(15)12(2)19-3/h4-5,10,12,16H,6-9H2,1-3H3.
What are the key properties of 1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone?
1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone is sourced from PubChem (CID 177194654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).