2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline

C15H25N3O — CID 166176366

IUPAC2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline
SMILESCOc1c(N)cccc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H25N3O/c1-12(2)11-17-7-9-18(10-8-17)14-6-4-5-13(16)15(14)19-3/h4-6,12H,7-11,16H2,1-3H3
InChIKeyVOXXXYLXTBRMCQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.06
Rot. Bonds4

About 2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline

2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline (PubChem CID 166176366) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline
PubChem CID166176366
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline
SMILESCOc1c(N)cccc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H25N3O/c1-12(2)11-17-7-9-18(10-8-17)14-6-4-5-13(16)15(14)19-3/h4-6,12H,7-11,16H2,1-3H3
InChIKeyVOXXXYLXTBRMCQ-UHFFFAOYSA-N
XLogP2.06
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline?
The IUPAC name of 2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline (CID 166176366) is 2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline.
What is the SMILES notation for 2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline?
The canonical SMILES for 2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline is COc1c(N)cccc1N1CCN(CC(C)C)CC1.
What is the InChIKey of 2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline?
The InChIKey is VOXXXYLXTBRMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)11-17-7-9-18(10-8-17)14-6-4-5-13(16)15(14)19-3/h4-6,12H,7-11,16H2,1-3H3.
What are the key properties of 2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline?
2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline has a molecular weight of 263.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline is sourced from PubChem (CID 166176366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).