3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine

C16H26N2O — CID 116928311

IUPAC3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine
SMILESCOc1cc(C)cc(C)c1CCC1CN(C)CCN1
InChIInChI=1S/C16H26N2O/c1-12-9-13(2)15(16(10-12)19-4)6-5-14-11-18(3)8-7-17-14/h9-10,14,17H,5-8,11H2,1-4H3
InChIKeyXEAKPFFDTMVGPK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.15
Rot. Bonds4

About 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine

3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine (PubChem CID 116928311) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine.

Molecular Properties

Compound Name3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine
PubChem CID116928311
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine
SMILESCOc1cc(C)cc(C)c1CCC1CN(C)CCN1
InChIInChI=1S/C16H26N2O/c1-12-9-13(2)15(16(10-12)19-4)6-5-14-11-18(3)8-7-17-14/h9-10,14,17H,5-8,11H2,1-4H3
InChIKeyXEAKPFFDTMVGPK-UHFFFAOYSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine
CID 116928232
1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115238665
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82480406
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1,4-diazepane
CID 82485738
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 116920016
3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine
CID 116928133
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239412
N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208286
2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine
CID 116928060
1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine
CID 116928299

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine?
The IUPAC name of 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine (CID 116928311) is 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine.
What is the SMILES notation for 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine?
The canonical SMILES for 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine is COc1cc(C)cc(C)c1CCC1CN(C)CCN1.
What is the InChIKey of 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine?
The InChIKey is XEAKPFFDTMVGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-13(2)15(16(10-12)19-4)6-5-14-11-18(3)8-7-17-14/h9-10,14,17H,5-8,11H2,1-4H3.
What are the key properties of 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine?
3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine is sourced from PubChem (CID 116928311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).