3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride

C14H19ClN2OS — CID 71636569

IUPAC3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride
SMILESCl.c1ccc2c(OCCC3CCCCN3)nsc2c1
InChIInChI=1S/C14H18N2OS.ClH/c1-2-7-13-12(6-1)14(16-18-13)17-10-8-11-5-3-4-9-15-11;/h1-2,6-7,11,15H,3-5,8-10H2;1H
InChIKeyQSWXAVQUVMPOML-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.63
Rot. Bonds4

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

3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride (PubChem CID 71636569) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride.

Molecular Properties

Compound Name3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride
PubChem CID71636569
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride
SMILESCl.c1ccc2c(OCCC3CCCCN3)nsc2c1
InChIInChI=1S/C14H18N2OS.ClH/c1-2-7-13-12(6-1)14(16-18-13)17-10-8-11-5-3-4-9-15-11;/h1-2,6-7,11,15H,3-5,8-10H2;1H
InChIKeyQSWXAVQUVMPOML-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole
CID 71636570
3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole
CID 97178424
3-(2-piperidin-2-ylethoxy)-2,1-benzothiazole
CID 66355743
2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride
CID 71636566
3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride
CID 71636976
3-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 56830402
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
3-butoxy-1,2-benzothiazole
CID 591887
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-benzothiazol-3-amine
CID 97178372
3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine
CID 103204979

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride?
The IUPAC name of 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride (CID 71636569) is 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride.
What is the SMILES notation for 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride?
The canonical SMILES for 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride is Cl.c1ccc2c(OCCC3CCCCN3)nsc2c1.
What is the InChIKey of 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride?
The InChIKey is QSWXAVQUVMPOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS.ClH/c1-2-7-13-12(6-1)14(16-18-13)17-10-8-11-5-3-4-9-15-11;/h1-2,6-7,11,15H,3-5,8-10H2;1H.
What are the key properties of 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride?
3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride is sourced from PubChem (CID 71636569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).