2,5-diethyl-1-(oxan-4-ylmethyl)piperazine

C14H28N2O — CID 64842307

IUPAC2,5-diethyl-1-(oxan-4-ylmethyl)piperazine
SMILESCCC1CN(CC2CCOCC2)C(CC)CN1
InChIInChI=1S/C14H28N2O/c1-3-13-11-16(14(4-2)9-15-13)10-12-5-7-17-8-6-12/h12-15H,3-11H2,1-2H3
InChIKeyIJPZGXIBSHRHNB-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds4

About 2,5-diethyl-1-(oxan-4-ylmethyl)piperazine

2,5-diethyl-1-(oxan-4-ylmethyl)piperazine (PubChem CID 64842307) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2,5-diethyl-1-(oxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-(oxan-4-ylmethyl)piperazine
PubChem CID64842307
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2,5-diethyl-1-(oxan-4-ylmethyl)piperazine
SMILESCCC1CN(CC2CCOCC2)C(CC)CN1
InChIInChI=1S/C14H28N2O/c1-3-13-11-16(14(4-2)9-15-13)10-12-5-7-17-8-6-12/h12-15H,3-11H2,1-2H3
InChIKeyIJPZGXIBSHRHNB-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848728
1-(cyclopentylmethyl)-2,5-diethylpiperazine
CID 64843856
5-cyclohexyl-2-ethyl-1-(oxan-4-ylmethyl)piperazine
CID 64859995
2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848743
5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64843761
1-(cyclopentylmethyl)-2-ethyl-5-propylpiperazine
CID 64845195
1-(cyclopentylmethyl)-5-ethyl-2-propylpiperazine
CID 64842116
1-(cyclobutylmethyl)-2-ethyl-5-propylpiperazine
CID 64936155
5-cyclopropyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64861065
2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine
CID 64947706
1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine
CID 64838582
2-(2,5-diethylpiperazin-1-yl)-1-morpholin-4-ylethanone
CID 64979235

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-(oxan-4-ylmethyl)piperazine?
The IUPAC name of 2,5-diethyl-1-(oxan-4-ylmethyl)piperazine (CID 64842307) is 2,5-diethyl-1-(oxan-4-ylmethyl)piperazine.
What is the SMILES notation for 2,5-diethyl-1-(oxan-4-ylmethyl)piperazine?
The canonical SMILES for 2,5-diethyl-1-(oxan-4-ylmethyl)piperazine is CCC1CN(CC2CCOCC2)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-(oxan-4-ylmethyl)piperazine?
The InChIKey is IJPZGXIBSHRHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-13-11-16(14(4-2)9-15-13)10-12-5-7-17-8-6-12/h12-15H,3-11H2,1-2H3.
What are the key properties of 2,5-diethyl-1-(oxan-4-ylmethyl)piperazine?
2,5-diethyl-1-(oxan-4-ylmethyl)piperazine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-(oxan-4-ylmethyl)piperazine is sourced from PubChem (CID 64842307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).