2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine

C18H30N2O — CID 64842922

IUPAC2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine
SMILESCCC1CN(CCOc2ccccc2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H30N2O/c1-5-15-14-20(17(13-19-15)18(2,3)4)11-12-21-16-9-7-6-8-10-16/h6-10,15,17,19H,5,11-14H2,1-4H3
InChIKeySLZFYXWGQNYENR-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.16
Rot. Bonds5

About 2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine

2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine (PubChem CID 64842922) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine
PubChem CID64842922
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine
SMILESCCC1CN(CCOc2ccccc2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H30N2O/c1-5-15-14-20(17(13-19-15)18(2,3)4)11-12-21-16-9-7-6-8-10-16/h6-10,15,17,19H,5,11-14H2,1-4H3
InChIKeySLZFYXWGQNYENR-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64842706
1-(2-butoxyethyl)-2-tert-butyl-5-ethylpiperazine
CID 64841177
2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine
CID 64978713
2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 115982506
1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine
CID 64843504
2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64842153
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine
CID 66396062
1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64840961
(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine
CID 64846367
1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 64978524
2-tert-butyl-5-ethyl-1-(2-methylpentyl)piperazine
CID 64841762

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine?
The IUPAC name of 2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine (CID 64842922) is 2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine.
What is the SMILES notation for 2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine?
The canonical SMILES for 2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine is CCC1CN(CCOc2ccccc2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine?
The InChIKey is SLZFYXWGQNYENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-15-14-20(17(13-19-15)18(2,3)4)11-12-21-16-9-7-6-8-10-16/h6-10,15,17,19H,5,11-14H2,1-4H3.
What are the key properties of 2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine?
2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine has a molecular weight of 290.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine is sourced from PubChem (CID 64842922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).