ethane;1-ethyl-4-methylpiperazine;4-methyloxane

C15H34N2O — CID 166092256

IUPACethane;1-ethyl-4-methylpiperazine;4-methyloxane
SMILESCC.CC1CCOCC1.CCN1CCN(C)CC1
InChIInChI=1S/C7H16N2.C6H12O.C2H6/c1-3-9-6-4-8(2)5-7-9;1-6-2-4-7-5-3-6;1-2/h3-7H2,1-2H3;6H,2-5H2,1H3;1-2H3
InChIKeyBVMJVNVHMWLWEU-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.71
Rot. Bonds1

About ethane;1-ethyl-4-methylpiperazine;4-methyloxane

ethane;1-ethyl-4-methylpiperazine;4-methyloxane (PubChem CID 166092256) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is ethane;1-ethyl-4-methylpiperazine;4-methyloxane.

Molecular Properties

Compound Nameethane;1-ethyl-4-methylpiperazine;4-methyloxane
PubChem CID166092256
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Nameethane;1-ethyl-4-methylpiperazine;4-methyloxane
SMILESCC.CC1CCOCC1.CCN1CCN(C)CC1
InChIInChI=1S/C7H16N2.C6H12O.C2H6/c1-3-9-6-4-8(2)5-7-9;1-6-2-4-7-5-3-6;1-2/h3-7H2,1-2H3;6H,2-5H2,1H3;1-2H3
InChIKeyBVMJVNVHMWLWEU-UHFFFAOYSA-N
XLogP2.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-methylpiperazine;4-methyloxane?
The IUPAC name of ethane;1-ethyl-4-methylpiperazine;4-methyloxane (CID 166092256) is ethane;1-ethyl-4-methylpiperazine;4-methyloxane.
What is the SMILES notation for ethane;1-ethyl-4-methylpiperazine;4-methyloxane?
The canonical SMILES for ethane;1-ethyl-4-methylpiperazine;4-methyloxane is CC.CC1CCOCC1.CCN1CCN(C)CC1.
What is the InChIKey of ethane;1-ethyl-4-methylpiperazine;4-methyloxane?
The InChIKey is BVMJVNVHMWLWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C6H12O.C2H6/c1-3-9-6-4-8(2)5-7-9;1-6-2-4-7-5-3-6;1-2/h3-7H2,1-2H3;6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-methylpiperazine;4-methyloxane?
ethane;1-ethyl-4-methylpiperazine;4-methyloxane has a molecular weight of 258.45 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-methylpiperazine;4-methyloxane is sourced from PubChem (CID 166092256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).