1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine

C18H30N2O — CID 107854191

IUPAC1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
SMILESCOc1cccc(CCN2CC(CC(C)C)NCC2C)c1
InChIInChI=1S/C18H30N2O/c1-14(2)10-17-13-20(15(3)12-19-17)9-8-16-6-5-7-18(11-16)21-4/h5-7,11,14-15,17,19H,8-10,12-13H2,1-4H3
InChIKeyJQVTUDNJAGMZFK-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.95
Rot. Bonds6

About 1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine

1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine (PubChem CID 107854191) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
PubChem CID107854191
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
SMILESCOc1cccc(CCN2CC(CC(C)C)NCC2C)c1
InChIInChI=1S/C18H30N2O/c1-14(2)10-17-13-20(15(3)12-19-17)9-8-16-6-5-7-18(11-16)21-4/h5-7,11,14-15,17,19H,8-10,12-13H2,1-4H3
InChIKeyJQVTUDNJAGMZFK-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-[(3-methoxyphenyl)methyl]-7-methyl-3-(2-methylpropyl)-1,4-diazepane
CID 64871971
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 106261615
2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849307
2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine
CID 64940204
1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64841869
2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine
CID 64841549
2-methyl-1-(4-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64939631
2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
CID 64833712
1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64843790
5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
CID 64930181
1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine
CID 64937698
1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64940136

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine (CID 107854191) is 1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine is COc1cccc(CCN2CC(CC(C)C)NCC2C)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine?
The InChIKey is JQVTUDNJAGMZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)10-17-13-20(15(3)12-19-17)9-8-16-6-5-7-18(11-16)21-4/h5-7,11,14-15,17,19H,8-10,12-13H2,1-4H3.
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine?
1-[2-(3-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-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 107854191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).