4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline

C15H25N3O — CID 115238316

IUPAC4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline
SMILESCCOc1ccc(N(C)CC2CNCCN2C)cc1
InChIInChI=1S/C15H25N3O/c1-4-19-15-7-5-13(6-8-15)18(3)12-14-11-16-9-10-17(14)2/h5-8,14,16H,4,9-12H2,1-3H3
InChIKeyDPFWGZGGUHOCMG-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.43
Rot. Bonds5

About 4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline

4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline (PubChem CID 115238316) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline
PubChem CID115238316
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline
SMILESCCOc1ccc(N(C)CC2CNCCN2C)cc1
InChIInChI=1S/C15H25N3O/c1-4-19-15-7-5-13(6-8-15)18(3)12-14-11-16-9-10-17(14)2/h5-8,14,16H,4,9-12H2,1-3H3
InChIKeyDPFWGZGGUHOCMG-UHFFFAOYSA-N
XLogP1.43
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline?
The IUPAC name of 4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline (CID 115238316) is 4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline.
What is the SMILES notation for 4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline?
The canonical SMILES for 4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline is CCOc1ccc(N(C)CC2CNCCN2C)cc1.
What is the InChIKey of 4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline?
The InChIKey is DPFWGZGGUHOCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-19-15-7-5-13(6-8-15)18(3)12-14-11-16-9-10-17(14)2/h5-8,14,16H,4,9-12H2,1-3H3.
What are the key properties of 4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline?
4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline has a molecular weight of 263.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline is sourced from PubChem (CID 115238316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).