3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride

C13H17ClN2OS — CID 71636976

IUPAC3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride
SMILESCl.c1ccc2c(OCC3CCNCC3)nsc2c1
InChIInChI=1S/C13H16N2OS.ClH/c1-2-4-12-11(3-1)13(15-17-12)16-9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H
InChIKeyOGJPJKXXEYBVSC-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.10
Rot. Bonds3

About 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride

3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride (PubChem CID 71636976) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride.

Molecular Properties

Compound Name3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride
PubChem CID71636976
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride
SMILESCl.c1ccc2c(OCC3CCNCC3)nsc2c1
InChIInChI=1S/C13H16N2OS.ClH/c1-2-4-12-11(3-1)13(15-17-12)16-9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H
InChIKeyOGJPJKXXEYBVSC-UHFFFAOYSA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride?
The IUPAC name of 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride (CID 71636976) is 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride.
What is the SMILES notation for 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride?
The canonical SMILES for 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride is Cl.c1ccc2c(OCC3CCNCC3)nsc2c1.
What is the InChIKey of 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride?
The InChIKey is OGJPJKXXEYBVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS.ClH/c1-2-4-12-11(3-1)13(15-17-12)16-9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H.
What are the key properties of 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride?
3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride has a molecular weight of 284.81 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride is sourced from PubChem (CID 71636976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).