1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane

C15H32N2O — CID 143703288

IUPAC1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane
SMILESCC/C=C(\CN1CCN(CC)CC1)OC.CCC
InChIInChI=1S/C12H24N2O.C3H8/c1-4-6-12(15-3)11-14-9-7-13(5-2)8-10-14;1-3-2/h6H,4-5,7-11H2,1-3H3;3H2,1-2H3/b12-6+;
InChIKeyCUZNZYFUHFOGDK-WXIWBVQFSA-N
MW256.43 g/mol
LogP2.98
Rot. Bonds5

About 1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane

1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane (PubChem CID 143703288) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane.

Molecular Properties

Compound Name1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane
PubChem CID143703288
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane
SMILESCC/C=C(\CN1CCN(CC)CC1)OC.CCC
InChIInChI=1S/C12H24N2O.C3H8/c1-4-6-12(15-3)11-14-9-7-13(5-2)8-10-14;1-3-2/h6H,4-5,7-11H2,1-3H3;3H2,1-2H3/b12-6+;
InChIKeyCUZNZYFUHFOGDK-WXIWBVQFSA-N
XLogP2.98
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane?
The IUPAC name of 1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane (CID 143703288) is 1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane.
What is the SMILES notation for 1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane?
The canonical SMILES for 1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane is CC/C=C(\CN1CCN(CC)CC1)OC.CCC.
What is the InChIKey of 1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane?
The InChIKey is CUZNZYFUHFOGDK-WXIWBVQFSA-N. The full InChI is InChI=1S/C12H24N2O.C3H8/c1-4-6-12(15-3)11-14-9-7-13(5-2)8-10-14;1-3-2/h6H,4-5,7-11H2,1-3H3;3H2,1-2H3/b12-6+;.
What are the key properties of 1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane?
1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane has a molecular weight of 256.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-2-methoxypent-2-enyl]piperazine;propane is sourced from PubChem (CID 143703288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).