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2-Benzothiazolyl 3-piperidinopropyl ether

HCID 9795591
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
c1ccc2sc(OCCCN3CCCCC3)nc2c1
InChIKey
VZGBGKHEMQIUPH-UHFFFAOYSA-N
Molecular formula
C15H20N2OS
Average molar mass
276.4 g/mol
Monoisotopic mass
276.12963444

Names & identifiers

Preferred name
2-Benzothiazolyl 3-piperidinopropyl ether
IUPAC
2-(3-piperidin-1-ylpropoxy)-1,3-benzothiazole

Names & synonyms

SCHEMBL491694VZGBGKHEMQIUPH-UHFFFAOYSA-N2-Benzothiazolyl 3-piperidinopropyl ether

Database identifiers

PubChem CID
9795591

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
53.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
271

Related reactions

3 records
New reaction record
HRID 604384 reaction equation
HRID 604384As productuspto-grants-2011_03
HRID 686544 reaction equation
HRID 686544As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1376167 reaction equation
HRID 1376167As productuspto-grants-2007_01

Compound notes

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