3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine

C15H24N2O — CID 116928133

IUPAC3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine
SMILESCOc1ccc(CC2CN(C)CCN2)c(C)c1C
InChIInChI=1S/C15H24N2O/c1-11-12(2)15(18-4)6-5-13(11)9-14-10-17(3)8-7-16-14/h5-6,14,16H,7-10H2,1-4H3
InChIKeyQEJHSHOCQOSUHN-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.76
Rot. Bonds3

About 3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine

3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine (PubChem CID 116928133) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine.

Molecular Properties

Compound Name3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine
PubChem CID116928133
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine
SMILESCOc1ccc(CC2CN(C)CCN2)c(C)c1C
InChIInChI=1S/C15H24N2O/c1-11-12(2)15(18-4)6-5-13(11)9-14-10-17(3)8-7-16-14/h5-6,14,16H,7-10H2,1-4H3
InChIKeyQEJHSHOCQOSUHN-UHFFFAOYSA-N
XLogP1.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethoxy-3-methylphenyl)-1-methylpiperazine
CID 82297569
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
CID 82286365
1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115238690
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238664
2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238770
2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812952
(4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941397
3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
CID 82292400
7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole
CID 84630932
3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316525
1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine
CID 116928127

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine?
The IUPAC name of 3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine (CID 116928133) is 3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine.
What is the SMILES notation for 3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine?
The canonical SMILES for 3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine is COc1ccc(CC2CN(C)CCN2)c(C)c1C.
What is the InChIKey of 3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine?
The InChIKey is QEJHSHOCQOSUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-12(2)15(18-4)6-5-13(11)9-14-10-17(3)8-7-16-14/h5-6,14,16H,7-10H2,1-4H3.
What are the key properties of 3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine?
3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine is sourced from PubChem (CID 116928133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).