2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine

C16H19N3O — CID 12909294

IUPAC2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESc1ccc2c(c1)OCc1nc(CN3CCCCC3)cn1-2
InChIInChI=1S/C16H19N3O/c1-4-8-18(9-5-1)10-13-11-19-14-6-2-3-7-15(14)20-12-16(19)17-13/h2-3,6-7,11H,1,4-5,8-10,12H2
InChIKeyLPIRTAYHKCWWEU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.75
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine

2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine (PubChem CID 12909294) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
PubChem CID12909294
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESc1ccc2c(c1)OCc1nc(CN3CCCCC3)cn1-2
InChIInChI=1S/C16H19N3O/c1-4-8-18(9-5-1)10-13-11-19-14-6-2-3-7-15(14)20-12-16(19)17-13/h2-3,6-7,11H,1,4-5,8-10,12H2
InChIKeyLPIRTAYHKCWWEU-UHFFFAOYSA-N
XLogP2.75
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine?
The IUPAC name of 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine (CID 12909294) is 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine is c1ccc2c(c1)OCc1nc(CN3CCCCC3)cn1-2.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine?
The InChIKey is LPIRTAYHKCWWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-8-18(9-5-1)10-13-11-19-14-6-2-3-7-15(14)20-12-16(19)17-13/h2-3,6-7,11H,1,4-5,8-10,12H2.
What are the key properties of 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine?
2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine has a molecular weight of 269.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine is sourced from PubChem (CID 12909294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).