2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine

C18H30N2O — CID 65443657

IUPAC2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine
SMILESCCC1(C)CNC(C)(C)CN1CCc1ccc(OC)cc1
InChIInChI=1S/C18H30N2O/c1-6-18(4)13-19-17(2,3)14-20(18)12-11-15-7-9-16(21-5)10-8-15/h7-10,19H,6,11-14H2,1-5H3
InChIKeySHNZJSLIXNILAX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.09
Rot. Bonds5

About 2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine

2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine (PubChem CID 65443657) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine
PubChem CID65443657
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine
SMILESCCC1(C)CNC(C)(C)CN1CCc1ccc(OC)cc1
InChIInChI=1S/C18H30N2O/c1-6-18(4)13-19-17(2,3)14-20(18)12-11-15-7-9-16(21-5)10-8-15/h7-10,19H,6,11-14H2,1-5H3
InChIKeySHNZJSLIXNILAX-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine
CID 64923987
2-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5,5-trimethylpiperazine
CID 64843626
5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine
CID 64861033
1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine
CID 65443258
2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64838813
5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 65444998
2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82871464
1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine
CID 114934587
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103728682
2-ethyl-1-(2-methoxyethyl)-2,5-dimethyl-5-phenylpiperazine
CID 64862506
4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-5-one
CID 82296397
2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
CID 64843429

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine?
The IUPAC name of 2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine (CID 65443657) is 2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine.
What is the SMILES notation for 2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine?
The canonical SMILES for 2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine is CCC1(C)CNC(C)(C)CN1CCc1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine?
The InChIKey is SHNZJSLIXNILAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-18(4)13-19-17(2,3)14-20(18)12-11-15-7-9-16(21-5)10-8-15/h7-10,19H,6,11-14H2,1-5H3.
What are the key properties of 2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine?
2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine is sourced from PubChem (CID 65443657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).