1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine

C15H24N2O — CID 96663407

IUPAC1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine
SMILESCc1ccc(COCCN2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2O/c1-13-3-4-15(14(2)11-13)12-18-10-9-17-7-5-16-6-8-17/h3-4,11,16H,5-10,12H2,1-2H3
InChIKeyQHRZHPBLDLHLRO-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.73
Rot. Bonds5

About 1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine

1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine (PubChem CID 96663407) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine
PubChem CID96663407
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine
SMILESCc1ccc(COCCN2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2O/c1-13-3-4-15(14(2)11-13)12-18-10-9-17-7-5-16-6-8-17/h3-4,11,16H,5-10,12H2,1-2H3
InChIKeyQHRZHPBLDLHLRO-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-bromo-4-methylphenyl)propyl]piperazine
CID 82308191
1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine
CID 82353012
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526
3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391223
1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine
CID 112741724
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazine
CID 3398296
1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine
CID 83936615
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620
1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine
CID 117034526

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine?
The IUPAC name of 1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine (CID 96663407) is 1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine.
What is the SMILES notation for 1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine?
The canonical SMILES for 1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine is Cc1ccc(COCCN2CCNCC2)c(C)c1.
What is the InChIKey of 1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine?
The InChIKey is QHRZHPBLDLHLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-3-4-15(14(2)11-13)12-18-10-9-17-7-5-16-6-8-17/h3-4,11,16H,5-10,12H2,1-2H3.
What are the key properties of 1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine?
1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine has a molecular weight of 248.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine is sourced from PubChem (CID 96663407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).