1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine

C11H22N2 — CID 89084957

IUPAC1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine
SMILESC=C(C(C)C)N1CCN(CC)CC1
InChIInChI=1S/C11H22N2/c1-5-12-6-8-13(9-7-12)11(4)10(2)3/h10H,4-9H2,1-3H3
InChIKeyRJVIPOLSBMKJDX-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.79
Rot. Bonds3

About 1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine

1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine (PubChem CID 89084957) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine
PubChem CID89084957
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine
SMILESC=C(C(C)C)N1CCN(CC)CC1
InChIInChI=1S/C11H22N2/c1-5-12-6-8-13(9-7-12)11(4)10(2)3/h10H,4-9H2,1-3H3
InChIKeyRJVIPOLSBMKJDX-UHFFFAOYSA-N
XLogP1.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine?
The IUPAC name of 1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine (CID 89084957) is 1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine.
What is the SMILES notation for 1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine?
The canonical SMILES for 1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine is C=C(C(C)C)N1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine?
The InChIKey is RJVIPOLSBMKJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-12-6-8-13(9-7-12)11(4)10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine?
1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine has a molecular weight of 182.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methylbut-1-en-2-yl)piperazine is sourced from PubChem (CID 89084957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).