1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine

C16H26N2O2 — CID 117446675

IUPAC1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine
SMILESCOc1cc(C)c(CCN2CCNCC2)c(OC)c1C
InChIInChI=1S/C16H26N2O2/c1-12-11-15(19-3)13(2)16(20-4)14(12)5-8-18-9-6-17-7-10-18/h11,17H,5-10H2,1-4H3
InChIKeySQAGMLFCYLLKOA-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.77
Rot. Bonds5

About 1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine

1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine (PubChem CID 117446675) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine
PubChem CID117446675
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine
SMILESCOc1cc(C)c(CCN2CCNCC2)c(OC)c1C
InChIInChI=1S/C16H26N2O2/c1-12-11-15(19-3)13(2)16(20-4)14(12)5-8-18-9-6-17-7-10-18/h11,17H,5-10H2,1-4H3
InChIKeySQAGMLFCYLLKOA-UHFFFAOYSA-N
XLogP1.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82480406
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1,4-diazepane
CID 82485738
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
1-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384405
1-[2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)ethyl]piperazine
CID 117462557
1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine
CID 117450445
2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol
CID 82266205
1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine
CID 117458592
1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine
CID 82265314
1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine
CID 117481369
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine (CID 117446675) is 1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine is COc1cc(C)c(CCN2CCNCC2)c(OC)c1C.
What is the InChIKey of 1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine?
The InChIKey is SQAGMLFCYLLKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-11-15(19-3)13(2)16(20-4)14(12)5-8-18-9-6-17-7-10-18/h11,17H,5-10H2,1-4H3.
What are the key properties of 1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine?
1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine has a molecular weight of 278.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine is sourced from PubChem (CID 117446675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).