2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine

C15H19N3O — CID 67902296

IUPAC2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine
SMILESC=CC(N1CCNCC1)N1C=Cc2ccccc2O1
InChIInChI=1S/C15H19N3O/c1-2-15(17-11-8-16-9-12-17)18-10-7-13-5-3-4-6-14(13)19-18/h2-7,10,15-16H,1,8-9,11-12H2
InChIKeyJZQYEXUQKDZGPP-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.68
Rot. Bonds3

About 2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine

2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine (PubChem CID 67902296) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine.

Molecular Properties

Compound Name2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine
PubChem CID67902296
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine
SMILESC=CC(N1CCNCC1)N1C=Cc2ccccc2O1
InChIInChI=1S/C15H19N3O/c1-2-15(17-11-8-16-9-12-17)18-10-7-13-5-3-4-6-14(13)19-18/h2-7,10,15-16H,1,8-9,11-12H2
InChIKeyJZQYEXUQKDZGPP-UHFFFAOYSA-N
XLogP1.68
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 177865529
2H-1,2-benzoxazine;morpholine
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1,2-Benzoxazin-2-ylmethanamine
CID 22167844
1-(1,2-Benzodioxin-3-yl)piperazine
CID 22184692
2H-1,2-benzoxazine;piperazine
CID 22918850
1-(2-Prop-2-enylphenoxy)piperazine
CID 67837578
2-(1-Piperazin-1-ylpentyl)-1,2-benzoxazine
CID 67850910
3-pentyl-4-piperazin-1-yl-2H-1,2-benzoxazine
CID 67850920
2-(1-Piperidin-1-ylprop-2-enyl)-1,2-benzoxazine
CID 67851901
3-piperidin-1-yl-2H-1,2-benzoxazine
CID 68629070
N-ethyl-2H-1,2-benzoxazin-3-amine
CID 69722623
Ethane;methanamine;2-methyl-1,2-benzoxazine
CID 142426534

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine?
The IUPAC name of 2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine (CID 67902296) is 2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine.
What is the SMILES notation for 2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine?
The canonical SMILES for 2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine is C=CC(N1CCNCC1)N1C=Cc2ccccc2O1.
What is the InChIKey of 2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine?
The InChIKey is JZQYEXUQKDZGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-15(17-11-8-16-9-12-17)18-10-7-13-5-3-4-6-14(13)19-18/h2-7,10,15-16H,1,8-9,11-12H2.
What are the key properties of 2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine?
2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine has a molecular weight of 257.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylprop-2-enyl)-1,2-benzoxazine is sourced from PubChem (CID 67902296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).