5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine

C18H30N2O — CID 64948188

IUPAC5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine
SMILESCCC1CNC(C(C)(C)C)CN1c1ccccc1COC
InChIInChI=1S/C18H30N2O/c1-6-15-11-19-17(18(2,3)4)12-20(15)16-10-8-7-9-14(16)13-21-5/h7-10,15,17,19H,6,11-13H2,1-5H3
InChIKeyOBEGZFJKVMCZSU-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds4

About 5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine

5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine (PubChem CID 64948188) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine
PubChem CID64948188
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine
SMILESCCC1CNC(C(C)(C)C)CN1c1ccccc1COC
InChIInChI=1S/C18H30N2O/c1-6-15-11-19-17(18(2,3)4)12-20(15)16-10-8-7-9-14(16)13-21-5/h7-10,15,17,19H,6,11-13H2,1-5H3
InChIKeyOBEGZFJKVMCZSU-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[2-(methoxymethyl)phenyl]-5-methylpiperazine
CID 64936592
5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931164
5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine
CID 107646420
5-tert-butyl-2-ethyl-1-phenylpiperazine
CID 64932615
2-ethyl-1-[2-(methoxymethyl)phenyl]-5,5-dimethylpiperazine
CID 64946267
5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine
CID 64947479
5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine
CID 64947856
5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine
CID 107639962
4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline
CID 64933884
5-tert-butyl-2-ethyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64941928
2-ethyl-5-propyl-1-(2-propylphenyl)piperazine
CID 64946303
5-tert-butyl-2-ethyl-1-(3,4,5-trifluorophenyl)piperazine
CID 64940572

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine (CID 64948188) is 5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine is CCC1CNC(C(C)(C)C)CN1c1ccccc1COC.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine?
The InChIKey is OBEGZFJKVMCZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-15-11-19-17(18(2,3)4)12-20(15)16-10-8-7-9-14(16)13-21-5/h7-10,15,17,19H,6,11-13H2,1-5H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine?
5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine has a molecular weight of 290.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine is sourced from PubChem (CID 64948188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).