1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone

C17H28N4O2 — CID 173297247

IUPAC1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
SMILESCC(=O)N1CCNCC1.COc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C11H16N2O.C6H12N2O/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13;1-6(9)8-4-2-7-3-5-8/h2-5,12H,6-9H2,1H3;7H,2-5H2,1H3
InChIKeyNIJBRCRVXQGDKZ-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.54
Rot. Bonds2

About 1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone

1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone (PubChem CID 173297247) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
PubChem CID173297247
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
SMILESCC(=O)N1CCNCC1.COc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C11H16N2O.C6H12N2O/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13;1-6(9)8-4-2-7-3-5-8/h2-5,12H,6-9H2,1H3;7H,2-5H2,1H3
InChIKeyNIJBRCRVXQGDKZ-UHFFFAOYSA-N
XLogP0.54
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

butanedioic acid;1-(4-methoxyphenyl)piperazine
CID 18545024
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CID 109018165
1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one
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1-(3,5-dimethoxyphenyl)piperazine
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1-[4-[(4-piperazin-1-ylphenyl)methyl]piperidin-1-yl]ethanone
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CID 142085748
2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402873
(4-piperazin-1-ylphenyl) butanoate
CID 123824502
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
methyl 4-(4-piperazin-1-ylphenoxy)butanoate
CID 115410755
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
N-[2-(4-methoxyphenyl)-2-piperazin-1-ylethenyl]acetamide
CID 3774416

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone?
The IUPAC name of 1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone (CID 173297247) is 1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone?
The canonical SMILES for 1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone is CC(=O)N1CCNCC1.COc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone?
The InChIKey is NIJBRCRVXQGDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C6H12N2O/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13;1-6(9)8-4-2-7-3-5-8/h2-5,12H,6-9H2,1H3;7H,2-5H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone?
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone has a molecular weight of 320.44 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone is sourced from PubChem (CID 173297247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).