1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone

C14H21N3O3 — CID 82533865

IUPAC1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2ccc(N)cc2OC)CC1
InChIInChI=1S/C14H21N3O3/c1-19-10-14(18)17-7-5-16(6-8-17)12-4-3-11(15)9-13(12)20-2/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeyIQLQSBLWHOYFNT-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.57
Rot. Bonds4

About 1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone

1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 82533865) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone
PubChem CID82533865
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2ccc(N)cc2OC)CC1
InChIInChI=1S/C14H21N3O3/c1-19-10-14(18)17-7-5-16(6-8-17)12-4-3-11(15)9-13(12)20-2/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeyIQLQSBLWHOYFNT-UHFFFAOYSA-N
XLogP0.57
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 96693290
(E)-4-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 82533862
butyl 4-(4-amino-2-methoxyphenyl)piperazine-1-carboxylate
CID 118164469
2-(4-aminophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119888892
1-[4-(2,4-diaminobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 61110043
3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one
CID 4740951
2-(4-amino-2-methoxyphenoxy)-1-(azepan-1-yl)ethanone
CID 62110109
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501
4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxyaniline
CID 91684405
tert-butyl 4-[[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 162754299
tert-butyl 4-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 171474596
(3R,4S)-1-(4-amino-2-methoxyphenyl)pyrrolidine-3,4-diol
CID 58387717

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone (CID 82533865) is 1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(c2ccc(N)cc2OC)CC1.
What is the InChIKey of 1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is IQLQSBLWHOYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-10-14(18)17-7-5-16(6-8-17)12-4-3-11(15)9-13(12)20-2/h3-4,9H,5-8,10,15H2,1-2H3.
What are the key properties of 1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 279.34 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 82533865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).