2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine

C14H22N2O — CID 82083204

IUPAC2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine
SMILESCOc1cc(C)c(C2CNCCN2C)cc1C
InChIInChI=1S/C14H22N2O/c1-10-8-14(17-4)11(2)7-12(10)13-9-15-5-6-16(13)3/h7-8,13,15H,5-6,9H2,1-4H3
InChIKeyPFQSHIRYZAWENH-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.89
Rot. Bonds2

About 2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine

2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine (PubChem CID 82083204) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine.

Molecular Properties

Compound Name2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine
PubChem CID82083204
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine
SMILESCOc1cc(C)c(C2CNCCN2C)cc1C
InChIInChI=1S/C14H22N2O/c1-10-8-14(17-4)11(2)7-12(10)13-9-15-5-6-16(13)3/h7-8,13,15H,5-6,9H2,1-4H3
InChIKeyPFQSHIRYZAWENH-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine
CID 82305382
1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole
CID 84636743
2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229788
2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine
CID 116928060
(2S)-2-(2-fluorophenyl)-1-methylpiperazine
CID 28804930
2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine
CID 116856400
2-(3,4-dimethoxyphenyl)-1-methyl-1,4-diazepane
CID 82623166
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine
CID 82666157
3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886
(3S)-3-(2,5-dimethoxy-4-methylphenyl)-1-methylpiperidine;(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine;hydrochloride
CID 160731871

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine?
The IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine (CID 82083204) is 2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine.
What is the SMILES notation for 2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine?
The canonical SMILES for 2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine is COc1cc(C)c(C2CNCCN2C)cc1C.
What is the InChIKey of 2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine?
The InChIKey is PFQSHIRYZAWENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-8-14(17-4)11(2)7-12(10)13-9-15-5-6-16(13)3/h7-8,13,15H,5-6,9H2,1-4H3.
What are the key properties of 2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine?
2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine has a molecular weight of 234.34 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine is sourced from PubChem (CID 82083204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).