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

C16H20ClN3O — CID 12909295

IUPAC2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine;hydrochloride
SMILESCl.c1ccc2c(c1)OCc1nc(CN3CCCCC3)cn1-2
InChIInChI=1S/C16H19N3O.ClH/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;1H
InChIKeyRPPNCZXQUIBRIS-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.17
Rot. Bonds2

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

2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine;hydrochloride (PubChem CID 12909295) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine;hydrochloride
PubChem CID12909295
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine;hydrochloride
SMILESCl.c1ccc2c(c1)OCc1nc(CN3CCCCC3)cn1-2
InChIInChI=1S/C16H19N3O.ClH/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;1H
InChIKeyRPPNCZXQUIBRIS-UHFFFAOYSA-N
XLogP3.17
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.17
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;hydrochloride?
The IUPAC name of 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine;hydrochloride (CID 12909295) is 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine;hydrochloride.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine;hydrochloride?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine;hydrochloride is Cl.c1ccc2c(c1)OCc1nc(CN3CCCCC3)cn1-2.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine;hydrochloride?
The InChIKey is RPPNCZXQUIBRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.ClH/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;1H.
What are the key properties of 2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine;hydrochloride?
2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 3.17, 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;hydrochloride is sourced from PubChem (CID 12909295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).