4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline

C14H23N3O — CID 66617388

IUPAC4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline
SMILESCOCCN1CCN(c2ccc(N)cc2C)CC1
InChIInChI=1S/C14H23N3O/c1-12-11-13(15)3-4-14(12)17-7-5-16(6-8-17)9-10-18-2/h3-4,11H,5-10,15H2,1-2H3
InChIKeyGXMBOYZTJQUCGE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.35
Rot. Bonds4

About 4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline

4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline (PubChem CID 66617388) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline
PubChem CID66617388
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline
SMILESCOCCN1CCN(c2ccc(N)cc2C)CC1
InChIInChI=1S/C14H23N3O/c1-12-11-13(15)3-4-14(12)17-7-5-16(6-8-17)9-10-18-2/h3-4,11H,5-10,15H2,1-2H3
InChIKeyGXMBOYZTJQUCGE-UHFFFAOYSA-N
XLogP1.35
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline?
The IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline (CID 66617388) is 4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline.
What is the SMILES notation for 4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline?
The canonical SMILES for 4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline is COCCN1CCN(c2ccc(N)cc2C)CC1.
What is the InChIKey of 4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline?
The InChIKey is GXMBOYZTJQUCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-11-13(15)3-4-14(12)17-7-5-16(6-8-17)9-10-18-2/h3-4,11H,5-10,15H2,1-2H3.
What are the key properties of 4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline?
4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline has a molecular weight of 249.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline is sourced from PubChem (CID 66617388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).