1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine

C15H24N2O — CID 117374509

IUPAC1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine
SMILESCCOc1c(CN2CCNCC2)ccc(C)c1C
InChIInChI=1S/C15H24N2O/c1-4-18-15-13(3)12(2)5-6-14(15)11-17-9-7-16-8-10-17/h5-6,16H,4,7-11H2,1-3H3
InChIKeyLXEPXUJLHKPLLV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds4

About 1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine

1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine (PubChem CID 117374509) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine
PubChem CID117374509
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine
SMILESCCOc1c(CN2CCNCC2)ccc(C)c1C
InChIInChI=1S/C15H24N2O/c1-4-18-15-13(3)12(2)5-6-14(15)11-17-9-7-16-8-10-17/h5-6,16H,4,7-11H2,1-3H3
InChIKeyLXEPXUJLHKPLLV-UHFFFAOYSA-N
XLogP2.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine
CID 59161326
1-[(3-chloro-2-ethoxyphenyl)methyl]piperazine
CID 120833653
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine
CID 82305365
1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine
CID 82552503
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine
CID 117285502
1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine
CID 117487419
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
1-[(3,4-difluoro-2-methoxyphenyl)methyl]piperazine
CID 115006374
[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine
CID 84754915
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine (CID 117374509) is 1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine is CCOc1c(CN2CCNCC2)ccc(C)c1C.
What is the InChIKey of 1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine?
The InChIKey is LXEPXUJLHKPLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-18-15-13(3)12(2)5-6-14(15)11-17-9-7-16-8-10-17/h5-6,16H,4,7-11H2,1-3H3.
What are the key properties of 1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine?
1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine has a molecular weight of 248.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 117374509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).