1-piperazin-1-ylhex-5-en-2-one

C10H18N2O — CID 116559499

IUPAC1-piperazin-1-ylhex-5-en-2-one
SMILESC=CCCC(=O)CN1CCNCC1
InChIInChI=1S/C10H18N2O/c1-2-3-4-10(13)9-12-7-5-11-6-8-12/h2,11H,1,3-9H2
InChIKeyCPDXLVIIZRMUCT-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.43
Rot. Bonds5

About 1-piperazin-1-ylhex-5-en-2-one

1-piperazin-1-ylhex-5-en-2-one (PubChem CID 116559499) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-piperazin-1-ylhex-5-en-2-one.

Molecular Properties

Compound Name1-piperazin-1-ylhex-5-en-2-one
PubChem CID116559499
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-piperazin-1-ylhex-5-en-2-one
SMILESC=CCCC(=O)CN1CCNCC1
InChIInChI=1S/C10H18N2O/c1-2-3-4-10(13)9-12-7-5-11-6-8-12/h2,11H,1,3-9H2
InChIKeyCPDXLVIIZRMUCT-UHFFFAOYSA-N
XLogP0.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.43
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-piperazin-1-ylhex-5-en-2-one?
The IUPAC name of 1-piperazin-1-ylhex-5-en-2-one (CID 116559499) is 1-piperazin-1-ylhex-5-en-2-one.
What is the SMILES notation for 1-piperazin-1-ylhex-5-en-2-one?
The canonical SMILES for 1-piperazin-1-ylhex-5-en-2-one is C=CCCC(=O)CN1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylhex-5-en-2-one?
The InChIKey is CPDXLVIIZRMUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-3-4-10(13)9-12-7-5-11-6-8-12/h2,11H,1,3-9H2.
What are the key properties of 1-piperazin-1-ylhex-5-en-2-one?
1-piperazin-1-ylhex-5-en-2-one has a molecular weight of 182.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylhex-5-en-2-one is sourced from PubChem (CID 116559499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).