1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine

C17H34N2O — CID 83039148

IUPAC1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine
SMILESCCC1CN(C2CCOC(CC)(CC)C2)C(CC)CN1
InChIInChI=1S/C17H34N2O/c1-5-14-13-19(15(6-2)12-18-14)16-9-10-20-17(7-3,8-4)11-16/h14-16,18H,5-13H2,1-4H3
InChIKeyXFMZPVNZBKSQEA-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.19
Rot. Bonds5

About 1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine

1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine (PubChem CID 83039148) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine
PubChem CID83039148
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine
SMILESCCC1CN(C2CCOC(CC)(CC)C2)C(CC)CN1
InChIInChI=1S/C17H34N2O/c1-5-14-13-19(15(6-2)12-18-14)16-9-10-20-17(7-3,8-4)11-16/h14-16,18H,5-13H2,1-4H3
InChIKeyXFMZPVNZBKSQEA-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-1-(2,2-diethyloxan-4-yl)-2-ethylpiperazine
CID 83036072
2,5-diethyl-1-(oxolan-3-yl)piperazine
CID 64843081
2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine
CID 64977928
2,5-diethyl-1-(3-methylcyclohexyl)piperazine
CID 64934041
2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 64977779
3-(2,5-diethylpiperazin-1-yl)oxolan-2-one
CID 64978737
1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione
CID 83040533
1-cyclooctyl-2-ethyl-5-(2-methylpropyl)piperazine
CID 64931371
2,5-diethyl-1-(2-methoxycyclopentyl)piperazine
CID 64946212
[1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol
CID 83040396
8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 83039128
1-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)-1,4-diazepane
CID 103372116

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine?
The IUPAC name of 1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine (CID 83039148) is 1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine.
What is the SMILES notation for 1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine?
The canonical SMILES for 1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine is CCC1CN(C2CCOC(CC)(CC)C2)C(CC)CN1.
What is the InChIKey of 1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine?
The InChIKey is XFMZPVNZBKSQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-14-13-19(15(6-2)12-18-14)16-9-10-20-17(7-3,8-4)11-16/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine?
1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine has a molecular weight of 282.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine is sourced from PubChem (CID 83039148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).