2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine

C18H30N2O — CID 64848535

IUPAC2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1Cc1ccc(OC)cc1
InChIInChI=1S/C18H30N2O/c1-5-17-11-19-16(10-14(2)3)13-20(17)12-15-6-8-18(21-4)9-7-15/h6-9,14,16-17,19H,5,10-13H2,1-4H3
InChIKeyANGWIJNXJCBREA-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.29
Rot. Bonds6

About 2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine

2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine (PubChem CID 64848535) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
PubChem CID64848535
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1Cc1ccc(OC)cc1
InChIInChI=1S/C18H30N2O/c1-5-17-11-19-16(10-14(2)3)13-20(17)12-15-6-8-18(21-4)9-7-15/h6-9,14,16-17,19H,5,10-13H2,1-4H3
InChIKeyANGWIJNXJCBREA-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine (CID 64848535) is 2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine is CCC1CNC(CC(C)C)CN1Cc1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine?
The InChIKey is ANGWIJNXJCBREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-17-11-19-16(10-14(2)3)13-20(17)12-15-6-8-18(21-4)9-7-15/h6-9,14,16-17,19H,5,10-13H2,1-4H3.
What are the key properties of 2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine?
2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine has a molecular weight of 290.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64848535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).