1-piperazin-1-ylprop-2-en-1-one;toluene

C14H20N2O — CID 160562022

IUPAC1-piperazin-1-ylprop-2-en-1-one;toluene
SMILESC=CC(=O)N1CCNCC1.Cc1ccccc1
InChIInChI=1S/C7H12N2O.C7H8/c1-2-7(10)9-5-3-8-4-6-9;1-7-5-3-2-4-6-7/h2,8H,1,3-6H2;2-6H,1H3
InChIKeyQZLBCXMLNPINTR-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.60
Rot. Bonds1

About 1-piperazin-1-ylprop-2-en-1-one;toluene

1-piperazin-1-ylprop-2-en-1-one;toluene (PubChem CID 160562022) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-piperazin-1-ylprop-2-en-1-one;toluene.

Molecular Properties

Compound Name1-piperazin-1-ylprop-2-en-1-one;toluene
PubChem CID160562022
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-piperazin-1-ylprop-2-en-1-one;toluene
SMILESC=CC(=O)N1CCNCC1.Cc1ccccc1
InChIInChI=1S/C7H12N2O.C7H8/c1-2-7(10)9-5-3-8-4-6-9;1-7-5-3-2-4-6-7/h2,8H,1,3-6H2;2-6H,1H3
InChIKeyQZLBCXMLNPINTR-UHFFFAOYSA-N
XLogP1.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylprop-2-en-1-one;toluene?
The IUPAC name of 1-piperazin-1-ylprop-2-en-1-one;toluene (CID 160562022) is 1-piperazin-1-ylprop-2-en-1-one;toluene.
What is the SMILES notation for 1-piperazin-1-ylprop-2-en-1-one;toluene?
The canonical SMILES for 1-piperazin-1-ylprop-2-en-1-one;toluene is C=CC(=O)N1CCNCC1.Cc1ccccc1.
What is the InChIKey of 1-piperazin-1-ylprop-2-en-1-one;toluene?
The InChIKey is QZLBCXMLNPINTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C7H8/c1-2-7(10)9-5-3-8-4-6-9;1-7-5-3-2-4-6-7/h2,8H,1,3-6H2;2-6H,1H3.
What are the key properties of 1-piperazin-1-ylprop-2-en-1-one;toluene?
1-piperazin-1-ylprop-2-en-1-one;toluene has a molecular weight of 232.33 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylprop-2-en-1-one;toluene is sourced from PubChem (CID 160562022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).