1-(1-but-2-enylazetidin-3-yl)piperazine

C11H21N3 — CID 77114565

IUPAC1-(1-but-2-enylazetidin-3-yl)piperazine
SMILESCC=CCN1CC(N2CCNCC2)C1
InChIInChI=1S/C11H21N3/c1-2-3-6-13-9-11(10-13)14-7-4-12-5-8-14/h2-3,11-12H,4-10H2,1H3
InChIKeyKQWCNCFTRZFCRA-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.15
Rot. Bonds3

About 1-(1-but-2-enylazetidin-3-yl)piperazine

1-(1-but-2-enylazetidin-3-yl)piperazine (PubChem CID 77114565) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(1-but-2-enylazetidin-3-yl)piperazine.

Molecular Properties

Compound Name1-(1-but-2-enylazetidin-3-yl)piperazine
PubChem CID77114565
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(1-but-2-enylazetidin-3-yl)piperazine
SMILESCC=CCN1CC(N2CCNCC2)C1
InChIInChI=1S/C11H21N3/c1-2-3-6-13-9-11(10-13)14-7-4-12-5-8-14/h2-3,11-12H,4-10H2,1H3
InChIKeyKQWCNCFTRZFCRA-UHFFFAOYSA-N
XLogP0.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-but-2-enylazetidin-3-yl)piperazine?
The IUPAC name of 1-(1-but-2-enylazetidin-3-yl)piperazine (CID 77114565) is 1-(1-but-2-enylazetidin-3-yl)piperazine.
What is the SMILES notation for 1-(1-but-2-enylazetidin-3-yl)piperazine?
The canonical SMILES for 1-(1-but-2-enylazetidin-3-yl)piperazine is CC=CCN1CC(N2CCNCC2)C1.
What is the InChIKey of 1-(1-but-2-enylazetidin-3-yl)piperazine?
The InChIKey is KQWCNCFTRZFCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-3-6-13-9-11(10-13)14-7-4-12-5-8-14/h2-3,11-12H,4-10H2,1H3.
What are the key properties of 1-(1-but-2-enylazetidin-3-yl)piperazine?
1-(1-but-2-enylazetidin-3-yl)piperazine has a molecular weight of 195.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-2-enylazetidin-3-yl)piperazine is sourced from PubChem (CID 77114565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).