1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine

C15H24N2O2 — CID 117415820

IUPAC1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine
SMILESCCc1cc(CN2CCNCC2)c(OC)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-4-12-9-13(11-17-7-5-16-6-8-17)15(19-3)14(10-12)18-2/h9-10,16H,4-8,11H2,1-3H3
InChIKeyCHYNAXUYGFGGJN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.67
Rot. Bonds5

About 1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine

1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine (PubChem CID 117415820) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine
PubChem CID117415820
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine
SMILESCCc1cc(CN2CCNCC2)c(OC)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-4-12-9-13(11-17-7-5-16-6-8-17)15(19-3)14(10-12)18-2/h9-10,16H,4-8,11H2,1-3H3
InChIKeyCHYNAXUYGFGGJN-UHFFFAOYSA-N
XLogP1.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 175598392
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1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867
1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine
CID 117425714
2-bromo-4-ethyl-6-(piperazin-1-ylmethyl)phenol
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1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[(5-fluoro-2-methoxy-3-methylsulfanylphenyl)methyl]piperazine
CID 117429286
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704
1-[(2-dodecoxy-5-ethyl-3-methoxyphenyl)methyl]-4-methylpiperazine
CID 171784920
1-[(3-chloro-5-ethyl-2-fluorophenyl)methyl]piperazine
CID 117395459
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 3437314
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine (CID 117415820) is 1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine is CCc1cc(CN2CCNCC2)c(OC)c(OC)c1.
What is the InChIKey of 1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine?
The InChIKey is CHYNAXUYGFGGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-12-9-13(11-17-7-5-16-6-8-17)15(19-3)14(10-12)18-2/h9-10,16H,4-8,11H2,1-3H3.
What are the key properties of 1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine?
1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine has a molecular weight of 264.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 117415820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).