4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride

C13H17ClN2OS — CID 22914728

IUPAC4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride
SMILESCl.O=C1CSc2ccccc2N1C1CCNCC1
InChIInChI=1S/C13H16N2OS.ClH/c16-13-9-17-12-4-2-1-3-11(12)15(13)10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H
InChIKeyHBHXPKKCCATHRZ-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.30
Rot. Bonds1

About 4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride

4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride (PubChem CID 22914728) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride.

Molecular Properties

Compound Name4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride
PubChem CID22914728
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride
SMILESCl.O=C1CSc2ccccc2N1C1CCNCC1
InChIInChI=1S/C13H16N2OS.ClH/c16-13-9-17-12-4-2-1-3-11(12)15(13)10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H
InChIKeyHBHXPKKCCATHRZ-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride?
The IUPAC name of 4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride (CID 22914728) is 4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride.
What is the SMILES notation for 4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride?
The canonical SMILES for 4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride is Cl.O=C1CSc2ccccc2N1C1CCNCC1.
What is the InChIKey of 4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride?
The InChIKey is HBHXPKKCCATHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS.ClH/c16-13-9-17-12-4-2-1-3-11(12)15(13)10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H.
What are the key properties of 4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride?
4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride has a molecular weight of 284.81 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride is sourced from PubChem (CID 22914728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).