2H-1,2-benzoxazine;piperazine

C12H17N3O — CID 22918850

IUPAC2H-1,2-benzoxazine;piperazine
SMILESC1=Cc2ccccc2ON1.C1CNCCN1
InChIInChI=1S/C8H7NO.C4H10N2/c1-2-4-8-7(3-1)5-6-9-10-8;1-2-6-4-3-5-1/h1-6,9H;5-6H,1-4H2
InChIKeyLMVITUFTWQURGG-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.73
Rot. Bonds

About 2H-1,2-benzoxazine;piperazine

2H-1,2-benzoxazine;piperazine (PubChem CID 22918850) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2H-1,2-benzoxazine;piperazine.

Molecular Properties

Compound Name2H-1,2-benzoxazine;piperazine
PubChem CID22918850
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2H-1,2-benzoxazine;piperazine
SMILESC1=Cc2ccccc2ON1.C1CNCCN1
InChIInChI=1S/C8H7NO.C4H10N2/c1-2-4-8-7(3-1)5-6-9-10-8;1-2-6-4-3-5-1/h1-6,9H;5-6H,1-4H2
InChIKeyLMVITUFTWQURGG-UHFFFAOYSA-N
XLogP0.73
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2H-1,2-benzoxazine;piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2H-1,2-benzoxazine;piperazine?
The IUPAC name of 2H-1,2-benzoxazine;piperazine (CID 22918850) is 2H-1,2-benzoxazine;piperazine.
What is the SMILES notation for 2H-1,2-benzoxazine;piperazine?
The canonical SMILES for 2H-1,2-benzoxazine;piperazine is C1=Cc2ccccc2ON1.C1CNCCN1.
What is the InChIKey of 2H-1,2-benzoxazine;piperazine?
The InChIKey is LMVITUFTWQURGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C4H10N2/c1-2-4-8-7(3-1)5-6-9-10-8;1-2-6-4-3-5-1/h1-6,9H;5-6H,1-4H2.
What are the key properties of 2H-1,2-benzoxazine;piperazine?
2H-1,2-benzoxazine;piperazine has a molecular weight of 219.29 g/mol, XLogP of 0.73, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,2-benzoxazine;piperazine is sourced from PubChem (CID 22918850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).