2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate

C15H23N3O4 — CID 89069999

IUPAC2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate
SMILESCOCCOC(=O)N1CCN(c2ccc(N)c(OC)c2)CC1
InChIInChI=1S/C15H23N3O4/c1-20-9-10-22-15(19)18-7-5-17(6-8-18)12-3-4-13(16)14(11-12)21-2/h3-4,11H,5-10,16H2,1-2H3
InChIKeyJCDHPJUXZKUYHY-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.18
Rot. Bonds5

About 2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate

2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate (PubChem CID 89069999) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate
PubChem CID89069999
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate
SMILESCOCCOC(=O)N1CCN(c2ccc(N)c(OC)c2)CC1
InChIInChI=1S/C15H23N3O4/c1-20-9-10-22-15(19)18-7-5-17(6-8-18)12-3-4-13(16)14(11-12)21-2/h3-4,11H,5-10,16H2,1-2H3
InChIKeyJCDHPJUXZKUYHY-UHFFFAOYSA-N
XLogP1.18
TPSA77.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone
CID 68521880
1-[4-(4-amino-3-methoxyphenyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone
CID 68593370
2-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 89069998
9-(4-amino-3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 135305096
4-(3-amino-4-methoxyphenyl)piperazine-1-carboxylic acid
CID 123559736
4-[4-(2-fluoroethyl)piperazin-1-yl]-2-methoxyaniline
CID 88571838
CID 89393426
CID 89393426
2-[4-[4-amino-3-(2-methoxyethoxy)phenyl]piperazin-1-yl]acetaldehyde
CID 87513607
2-(methylamino)ethyl 4-(3-amino-4-bromophenyl)piperazine-1-carboxylate
CID 166955594
4-(4,4-difluoropiperidin-1-yl)-2-methoxyaniline
CID 57416121
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 143061887

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate?
The IUPAC name of 2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate (CID 89069999) is 2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate is COCCOC(=O)N1CCN(c2ccc(N)c(OC)c2)CC1.
What is the InChIKey of 2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate?
The InChIKey is JCDHPJUXZKUYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-20-9-10-22-15(19)18-7-5-17(6-8-18)12-3-4-13(16)14(11-12)21-2/h3-4,11H,5-10,16H2,1-2H3.
What are the key properties of 2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate?
2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 89069999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).