1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine

C18H30N2O — CID 106261615

IUPAC1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
SMILESCOc1ccccc1CCN1CC(CC(C)C)NCC1C
InChIInChI=1S/C18H30N2O/c1-14(2)11-17-13-20(15(3)12-19-17)10-9-16-7-5-6-8-18(16)21-4/h5-8,14-15,17,19H,9-13H2,1-4H3
InChIKeyXKHYUWOSVKESSN-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.95
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine

1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine (PubChem CID 106261615) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
PubChem CID106261615
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
SMILESCOc1ccccc1CCN1CC(CC(C)C)NCC1C
InChIInChI=1S/C18H30N2O/c1-14(2)11-17-13-20(15(3)12-19-17)10-9-16-7-5-6-8-18(16)21-4/h5-8,14-15,17,19H,9-13H2,1-4H3
InChIKeyXKHYUWOSVKESSN-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 107854191
2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine
CID 64940204
1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64940136
1-[2-(2-methoxyphenyl)ethyl]-2-methylpiperazine
CID 82083206
5-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 64840938
1-[(2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846377
1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64841869
5,5-diethyl-1-[2-(2-methoxyphenyl)ethyl]-2-methylpiperazine
CID 106261604
2-methyl-1-(4-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64939631
1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 116790807
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496
1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64843790

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine (CID 106261615) is 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine is COc1ccccc1CCN1CC(CC(C)C)NCC1C.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine?
The InChIKey is XKHYUWOSVKESSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)11-17-13-20(15(3)12-19-17)10-9-16-7-5-6-8-18(16)21-4/h5-8,14-15,17,19H,9-13H2,1-4H3.
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine?
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine has a molecular weight of 290.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 106261615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).