1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine

C14H22N2O — CID 82083196

IUPAC1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
SMILESCOc1ccc(C)cc1CCN1CCNCC1
InChIInChI=1S/C14H22N2O/c1-12-3-4-14(17-2)13(11-12)5-8-16-9-6-15-7-10-16/h3-4,11,15H,5-10H2,1-2H3
InChIKeyNKGGMGDLAXLERV-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.45
Rot. Bonds4

About 1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine

1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine (PubChem CID 82083196) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
PubChem CID82083196
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
SMILESCOc1ccc(C)cc1CCN1CCNCC1
InChIInChI=1S/C14H22N2O/c1-12-3-4-14(17-2)13(11-12)5-8-16-9-6-15-7-10-16/h3-4,11,15H,5-10H2,1-2H3
InChIKeyNKGGMGDLAXLERV-UHFFFAOYSA-N
XLogP1.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778
4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline
CID 117413761
1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine
CID 117466165
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
CID 117475075
1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine
CID 82264703
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82480406
1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
CID 117446670

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine (CID 82083196) is 1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine is COc1ccc(C)cc1CCN1CCNCC1.
What is the InChIKey of 1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine?
The InChIKey is NKGGMGDLAXLERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-3-4-14(17-2)13(11-12)5-8-16-9-6-15-7-10-16/h3-4,11,15H,5-10H2,1-2H3.
What are the key properties of 1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine?
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine has a molecular weight of 234.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 82083196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).