4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline

C14H23N3O — CID 63677784

IUPAC4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline
SMILESCCN1CCN(c2ccc(N)c(OC)c2)CC1C
InChIInChI=1S/C14H23N3O/c1-4-16-7-8-17(10-11(16)2)12-5-6-13(15)14(9-12)18-3/h5-6,9,11H,4,7-8,10,15H2,1-3H3
InChIKeyMAACZZIHPWENIO-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds3

About 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline

4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline (PubChem CID 63677784) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline.

Molecular Properties

Compound Name4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline
PubChem CID63677784
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline
SMILESCCN1CCN(c2ccc(N)c(OC)c2)CC1C
InChIInChI=1S/C14H23N3O/c1-4-16-7-8-17(10-11(16)2)12-5-6-13(15)14(9-12)18-3/h5-6,9,11H,4,7-8,10,15H2,1-3H3
InChIKeyMAACZZIHPWENIO-UHFFFAOYSA-N
XLogP1.81
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol
CID 68591948
4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline
CID 63608539
1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol
CID 102955530
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyaniline
CID 70565510
5-(4-ethyl-3-methylpiperazin-1-yl)pyridin-2-amine
CID 63608912
2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 55231767
(2S)-1-(2-chloroethyl)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazine
CID 143061845
4-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)aniline
CID 65342685
(3S)-1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 89285568
4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxyaniline
CID 103530677
methyl 4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzoate
CID 82796254
2-methoxy-4-[(3S)-4-(2-methylsulfonylethyl)-3-propan-2-ylpiperazin-1-yl]aniline
CID 66650024

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline?
The IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline (CID 63677784) is 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline.
What is the SMILES notation for 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline?
The canonical SMILES for 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline is CCN1CCN(c2ccc(N)c(OC)c2)CC1C.
What is the InChIKey of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline?
The InChIKey is MAACZZIHPWENIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-16-7-8-17(10-11(16)2)12-5-6-13(15)14(9-12)18-3/h5-6,9,11H,4,7-8,10,15H2,1-3H3.
What are the key properties of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline?
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline has a molecular weight of 249.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline is sourced from PubChem (CID 63677784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).