3-(2-methoxy-5-methylphenyl)-1-methylpiperazine

C13H20N2O — CID 82114400

IUPAC3-(2-methoxy-5-methylphenyl)-1-methylpiperazine
SMILESCOc1ccc(C)cc1C1CN(C)CCN1
InChIInChI=1S/C13H20N2O/c1-10-4-5-13(16-3)11(8-10)12-9-15(2)7-6-14-12/h4-5,8,12,14H,6-7,9H2,1-3H3
InChIKeyQGLWONBCNAZIBD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds2

About 3-(2-methoxy-5-methylphenyl)-1-methylpiperazine

3-(2-methoxy-5-methylphenyl)-1-methylpiperazine (PubChem CID 82114400) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-1-methylpiperazine.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-1-methylpiperazine
PubChem CID82114400
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(2-methoxy-5-methylphenyl)-1-methylpiperazine
SMILESCOc1ccc(C)cc1C1CN(C)CCN1
InChIInChI=1S/C13H20N2O/c1-10-4-5-13(16-3)11(8-10)12-9-15(2)7-6-14-12/h4-5,8,12,14H,6-7,9H2,1-3H3
InChIKeyQGLWONBCNAZIBD-UHFFFAOYSA-N
XLogP1.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethoxy-3-methylphenyl)-1-methylpiperazine
CID 82297569
(2-methoxy-5-methylphenyl)-(4-methylpiperazin-2-yl)methanone
CID 116919795
3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine
CID 82118990
4-(2-methoxy-5-methylphenyl)azetidin-2-one
CID 66350975
5-(2-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286361
1-methyl-3-(2,4,6-trimethylphenyl)piperazine
CID 82114107
3-(2-methoxy-5-methylphenyl)-6-methyl-1,4-thiazepane 1,1-dioxide
CID 66226419
6-methoxy-4-(4-methylpiperazin-2-yl)quinoline
CID 82665396
2-(2-methoxy-5-methylphenyl)-3-methylazetidine
CID 116822099
3-(3,4-diethoxyphenyl)-1-methylpiperazine
CID 116989258
3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine
CID 116928133
1-(2-methoxy-5-methylphenyl)-3-propylpiperazine
CID 64923794

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-1-methylpiperazine?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-1-methylpiperazine (CID 82114400) is 3-(2-methoxy-5-methylphenyl)-1-methylpiperazine.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-1-methylpiperazine?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-1-methylpiperazine is COc1ccc(C)cc1C1CN(C)CCN1.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-1-methylpiperazine?
The InChIKey is QGLWONBCNAZIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-4-5-13(16-3)11(8-10)12-9-15(2)7-6-14-12/h4-5,8,12,14H,6-7,9H2,1-3H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)-1-methylpiperazine?
3-(2-methoxy-5-methylphenyl)-1-methylpiperazine has a molecular weight of 220.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-1-methylpiperazine is sourced from PubChem (CID 82114400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).