1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine

C16H26N2O — CID 94693693

IUPAC1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
SMILESCCOc1cc(C)c(CCN2CCNCC2)cc1C
InChIInChI=1S/C16H26N2O/c1-4-19-16-12-13(2)15(11-14(16)3)5-8-18-9-6-17-7-10-18/h11-12,17H,4-10H2,1-3H3
InChIKeyYNSQDFUGWNIMHV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.15
Rot. Bonds5

About 1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine

1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine (PubChem CID 94693693) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
PubChem CID94693693
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
SMILESCCOc1cc(C)c(CCN2CCNCC2)cc1C
InChIInChI=1S/C16H26N2O/c1-4-19-16-12-13(2)15(11-14(16)3)5-8-18-9-6-17-7-10-18/h11-12,17H,4-10H2,1-3H3
InChIKeyYNSQDFUGWNIMHV-UHFFFAOYSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

1-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperazine
CID 82266066
1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine
CID 83940966
1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine
CID 82265314
1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine
CID 82263455
2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone
CID 82134628
1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine
CID 82305365
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine
CID 83936615
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
CID 95472670

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine (CID 94693693) is 1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine is CCOc1cc(C)c(CCN2CCNCC2)cc1C.
What is the InChIKey of 1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine?
The InChIKey is YNSQDFUGWNIMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-19-16-12-13(2)15(11-14(16)3)5-8-18-9-6-17-7-10-18/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine?
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine is sourced from PubChem (CID 94693693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).