3-piperidin-1-yl-2H-1,2-benzoxazine

C13H16N2O — CID 68629070

IUPAC3-piperidin-1-yl-2H-1,2-benzoxazine
SMILESC1=C(N2CCCCC2)NOc2ccccc21
InChIInChI=1S/C13H16N2O/c1-4-8-15(9-5-1)13-10-11-6-2-3-7-12(11)16-14-13/h2-3,6-7,10,14H,1,4-5,8-9H2
InChIKeyGBCYLZKFDBVTNN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.37
Rot. Bonds1

About 3-piperidin-1-yl-2H-1,2-benzoxazine

3-piperidin-1-yl-2H-1,2-benzoxazine (PubChem CID 68629070) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-piperidin-1-yl-2H-1,2-benzoxazine.

Molecular Properties

Compound Name3-piperidin-1-yl-2H-1,2-benzoxazine
PubChem CID68629070
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-piperidin-1-yl-2H-1,2-benzoxazine
SMILESC1=C(N2CCCCC2)NOc2ccccc21
InChIInChI=1S/C13H16N2O/c1-4-8-15(9-5-1)13-10-11-6-2-3-7-12(11)16-14-13/h2-3,6-7,10,14H,1,4-5,8-9H2
InChIKeyGBCYLZKFDBVTNN-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-2H-1,2-benzoxazine?
The IUPAC name of 3-piperidin-1-yl-2H-1,2-benzoxazine (CID 68629070) is 3-piperidin-1-yl-2H-1,2-benzoxazine.
What is the SMILES notation for 3-piperidin-1-yl-2H-1,2-benzoxazine?
The canonical SMILES for 3-piperidin-1-yl-2H-1,2-benzoxazine is C1=C(N2CCCCC2)NOc2ccccc21.
What is the InChIKey of 3-piperidin-1-yl-2H-1,2-benzoxazine?
The InChIKey is GBCYLZKFDBVTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-8-15(9-5-1)13-10-11-6-2-3-7-12(11)16-14-13/h2-3,6-7,10,14H,1,4-5,8-9H2.
What are the key properties of 3-piperidin-1-yl-2H-1,2-benzoxazine?
3-piperidin-1-yl-2H-1,2-benzoxazine has a molecular weight of 216.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-2H-1,2-benzoxazine is sourced from PubChem (CID 68629070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).