1-but-2-en-2-ylpiperazine

C8H16N2 — CID 90791607

IUPAC1-but-2-en-2-ylpiperazine
SMILESCC=C(C)N1CCNCC1
InChIInChI=1S/C8H16N2/c1-3-8(2)10-6-4-9-5-7-10/h3,9H,4-7H2,1-2H3
InChIKeyOVGYOXKHWDGSGQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.82
Rot. Bonds1

About 1-but-2-en-2-ylpiperazine

1-but-2-en-2-ylpiperazine (PubChem CID 90791607) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-but-2-en-2-ylpiperazine.

Molecular Properties

Compound Name1-but-2-en-2-ylpiperazine
PubChem CID90791607
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-but-2-en-2-ylpiperazine
SMILESCC=C(C)N1CCNCC1
InChIInChI=1S/C8H16N2/c1-3-8(2)10-6-4-9-5-7-10/h3,9H,4-7H2,1-2H3
InChIKeyOVGYOXKHWDGSGQ-UHFFFAOYSA-N
XLogP0.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-ylpiperazine?
The IUPAC name of 1-but-2-en-2-ylpiperazine (CID 90791607) is 1-but-2-en-2-ylpiperazine.
What is the SMILES notation for 1-but-2-en-2-ylpiperazine?
The canonical SMILES for 1-but-2-en-2-ylpiperazine is CC=C(C)N1CCNCC1.
What is the InChIKey of 1-but-2-en-2-ylpiperazine?
The InChIKey is OVGYOXKHWDGSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-8(2)10-6-4-9-5-7-10/h3,9H,4-7H2,1-2H3.
What are the key properties of 1-but-2-en-2-ylpiperazine?
1-but-2-en-2-ylpiperazine has a molecular weight of 140.23 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-ylpiperazine is sourced from PubChem (CID 90791607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).