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

C16H20N2O — CID 67851901

IUPAC2-(1-piperidin-1-ylprop-2-enyl)-1,2-benzoxazine
SMILESC=CC(N1CCCCC1)N1C=Cc2ccccc2O1
InChIInChI=1S/C16H20N2O/c1-2-16(17-11-6-3-7-12-17)18-13-10-14-8-4-5-9-15(14)19-18/h2,4-5,8-10,13,16H,1,3,6-7,11-12H2
InChIKeyRITLPIGTIOVNFL-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.26
Rot. Bonds3

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

2-(1-piperidin-1-ylprop-2-enyl)-1,2-benzoxazine (PubChem CID 67851901) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(1-piperidin-1-ylprop-2-enyl)-1,2-benzoxazine.

Molecular Properties

Compound Name2-(1-piperidin-1-ylprop-2-enyl)-1,2-benzoxazine
PubChem CID67851901
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(1-piperidin-1-ylprop-2-enyl)-1,2-benzoxazine
SMILESC=CC(N1CCCCC1)N1C=Cc2ccccc2O1
InChIInChI=1S/C16H20N2O/c1-2-16(17-11-6-3-7-12-17)18-13-10-14-8-4-5-9-15(14)19-18/h2,4-5,8-10,13,16H,1,3,6-7,11-12H2
InChIKeyRITLPIGTIOVNFL-UHFFFAOYSA-N
XLogP3.26
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
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 2-(1-piperidin-1-ylprop-2-enyl)-1,2-benzoxazine?
The IUPAC name of 2-(1-piperidin-1-ylprop-2-enyl)-1,2-benzoxazine (CID 67851901) is 2-(1-piperidin-1-ylprop-2-enyl)-1,2-benzoxazine.
What is the SMILES notation for 2-(1-piperidin-1-ylprop-2-enyl)-1,2-benzoxazine?
The canonical SMILES for 2-(1-piperidin-1-ylprop-2-enyl)-1,2-benzoxazine is C=CC(N1CCCCC1)N1C=Cc2ccccc2O1.
What is the InChIKey of 2-(1-piperidin-1-ylprop-2-enyl)-1,2-benzoxazine?
The InChIKey is RITLPIGTIOVNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-16(17-11-6-3-7-12-17)18-13-10-14-8-4-5-9-15(14)19-18/h2,4-5,8-10,13,16H,1,3,6-7,11-12H2.
What are the key properties of 2-(1-piperidin-1-ylprop-2-enyl)-1,2-benzoxazine?
2-(1-piperidin-1-ylprop-2-enyl)-1,2-benzoxazine has a molecular weight of 256.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperidin-1-ylprop-2-enyl)-1,2-benzoxazine is sourced from PubChem (CID 67851901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).