1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone

C11H20N2O — CID 131971579

IUPAC1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone
SMILESC=C(C(C)C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C11H20N2O/c1-9(2)10(3)12-5-7-13(8-6-12)11(4)14/h9H,3,5-8H2,1-2,4H3
InChIKeyFGVHZKCMMGOHHL-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.32
Rot. Bonds2

About 1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone

1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone (PubChem CID 131971579) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone
PubChem CID131971579
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone
SMILESC=C(C(C)C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C11H20N2O/c1-9(2)10(3)12-5-7-13(8-6-12)11(4)14/h9H,3,5-8H2,1-2,4H3
InChIKeyFGVHZKCMMGOHHL-UHFFFAOYSA-N
XLogP1.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone (CID 131971579) is 1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone is C=C(C(C)C)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone?
The InChIKey is FGVHZKCMMGOHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)10(3)12-5-7-13(8-6-12)11(4)14/h9H,3,5-8H2,1-2,4H3.
What are the key properties of 1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone?
1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone has a molecular weight of 196.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 131971579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).